propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate

C142H194ClF18N29O19S2 — CID 160565560

IUPACpropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C)(N(C)C(=O)c2nnc3n2CCN(C2CC2)C3)CC1.CC(OC(=O)N1CCC(C)(CC(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cnc3cccnn23)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)Cc2cc3cc(Cl)ccc3s2)CC1)C(F)(F)F.Cc1c(CN(C)C2(C)CCN(C(=O)OC(C)C(F)(F)F)CC2)sc2ccccc12.[H]/N=C(\OC(C)C(F)(F)F)N1CCC(C)(N(CCOC)C(=O)C2(c3ncccn3)CC2)CC1
InChIInChI=1S/2C21H30F3N5O3.C21H29F3N4O3.C21H27F3N2O2S.C20H24ClF3N2O2S.C20H32N6O3.C18H22F3N5O3/c1-14(21(22,23)24)32-19(31)27-8-6-20(2,7-9-27)26(3)18(30)16-12-29-11-10-28(15-4-5-15)13-17(29)25-16;1-15(21(22,23)24)32-18(25)28-11-7-19(2,8-12-28)29(13-14-31-3)17(30)20(5-6-20)16-26-9-4-10-27-16;1-14(21(22,23)24)31-19(30)26-7-5-20(2,6-8-26)11-17(29)16-12-28-10-9-27(15-3-4-15)13-18(28)25-16;1-14-16-7-5-6-8-17(16)29-18(14)13-25(4)20(3)9-11-26(12-10-20)19(27)28-15(2)21(22,23)24;1-13(20(22,23)24)28-18(27)26-8-6-19(2,7-9-26)25(3)12-16-11-14-10-15(21)4-5-17(14)29-16;1-14(2)29-19(28)24-9-7-20(3,8-10-24)23(4)18(27)17-22-21-16-13-25(15-5-6-15)11-12-26(16)17;1-12(18(19,20)21)29-16(28)25-9-6-17(2,7-10-25)24(3)15(27)13-11-22-14-5-4-8-23-26(13)14/h12,14-15H,4-11,13H2,1-3H3;4,9-10,15,25H,5-8,11-14H2,1-3H3;12,14-15H,3-11,13H2,1-2H3;5-8,15H,9-13H2,1-4H3;4-5,10-11,13H,6-9,12H2,1-3H3;14-15H,5-13H2,1-4H3;4-5,8,11-12H,6-7,9-10H2,1-3H3/b;25-18-;;;;;
InChIKeyQZWJNSVCGZODMJ-KIHMKMHXSA-N
MW3052.85 g/mol
LogP25.22
Rot. Bonds31

About propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate

propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate (PubChem CID 160565560) has the molecular formula C142H194ClF18N29O19S2 and a molecular weight of 3052.85 g/mol. Its IUPAC name is propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate
PubChem CID160565560
Molecular FormulaC142H194ClF18N29O19S2
Molecular Weight3052.85 g/mol
Exact Mass3050.39
IUPAC Namepropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(C)(N(C)C(=O)c2nnc3n2CCN(C2CC2)C3)CC1.CC(OC(=O)N1CCC(C)(CC(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cnc3cccnn23)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)Cc2cc3cc(Cl)ccc3s2)CC1)C(F)(F)F.Cc1c(CN(C)C2(C)CCN(C(=O)OC(C)C(F)(F)F)CC2)sc2ccccc12.[H]/N=C(\OC(C)C(F)(F)F)N1CCC(C)(N(CCOC)C(=O)C2(c3ncccn3)CC2)CC1
InChIInChI=1S/2C21H30F3N5O3.C21H29F3N4O3.C21H27F3N2O2S.C20H24ClF3N2O2S.C20H32N6O3.C18H22F3N5O3/c1-14(21(22,23)24)32-19(31)27-8-6-20(2,7-9-27)26(3)18(30)16-12-29-11-10-28(15-4-5-15)13-17(29)25-16;1-15(21(22,23)24)32-18(25)28-11-7-19(2,8-12-28)29(13-14-31-3)17(30)20(5-6-20)16-26-9-4-10-27-16;1-14(21(22,23)24)31-19(30)26-7-5-20(2,6-8-26)11-17(29)16-12-28-10-9-27(15-3-4-15)13-18(28)25-16;1-14-16-7-5-6-8-17(16)29-18(14)13-25(4)20(3)9-11-26(12-10-20)19(27)28-15(2)21(22,23)24;1-13(20(22,23)24)28-18(27)26-8-6-19(2,7-9-26)25(3)12-16-11-14-10-15(21)4-5-17(14)29-16;1-14(2)29-19(28)24-9-7-20(3,8-10-24)23(4)18(27)17-22-21-16-13-25(15-5-6-15)11-12-26(16)17;1-12(18(19,20)21)29-16(28)25-9-6-17(2,7-10-25)24(3)15(27)13-11-22-14-5-4-8-23-26(13)14/h12,14-15H,4-11,13H2,1-3H3;4,9-10,15,25H,5-8,11-14H2,1-3H3;12,14-15H,3-11,13H2,1-2H3;5-8,15H,9-13H2,1-4H3;4-5,10-11,13H,6-9,12H2,1-3H3;14-15H,5-13H2,1-4H3;4-5,8,11-12H,6-7,9-10H2,1-3H3/b;25-18-;;;;;
InChIKeyQZWJNSVCGZODMJ-KIHMKMHXSA-N
XLogP25.22
TPSA459.62 Ų
H-Bond Donors1
H-Bond Acceptors39
Rotatable Bonds31
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003052.85
LogP ≤ 525.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 157356381

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate (CID 160565560) is propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(C)(N(C)C(=O)c2nnc3n2CCN(C2CC2)C3)CC1.CC(OC(=O)N1CCC(C)(CC(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cnc3cccnn23)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)Cc2cc3cc(Cl)ccc3s2)CC1)C(F)(F)F.Cc1c(CN(C)C2(C)CCN(C(=O)OC(C)C(F)(F)F)CC2)sc2ccccc12.[H]/N=C(\OC(C)C(F)(F)F)N1CCC(C)(N(CCOC)C(=O)C2(c3ncccn3)CC2)CC1.
What is the InChIKey of propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate?
The InChIKey is QZWJNSVCGZODMJ-KIHMKMHXSA-N. The full InChI is InChI=1S/2C21H30F3N5O3.C21H29F3N4O3.C21H27F3N2O2S.C20H24ClF3N2O2S.C20H32N6O3.C18H22F3N5O3/c1-14(21(22,23)24)32-19(31)27-8-6-20(2,7-9-27)26(3)18(30)16-12-29-11-10-28(15-4-5-15)13-17(29)25-16;1-15(21(22,23)24)32-18(25)28-11-7-19(2,8-12-28)29(13-14-31-3)17(30)20(5-6-20)16-26-9-4-10-27-16;1-14(21(22,23)24)31-19(30)26-7-5-20(2,6-8-26)11-17(29)16-12-28-10-9-27(15-3-4-15)13-18(28)25-16;1-14-16-7-5-6-8-17(16)29-18(14)13-25(4)20(3)9-11-26(12-10-20)19(27)28-15(2)21(22,23)24;1-13(20(22,23)24)28-18(27)26-8-6-19(2,7-9-26)25(3)12-16-11-14-10-15(21)4-5-17(14)29-16;1-14(2)29-19(28)24-9-7-20(3,8-10-24)23(4)18(27)17-22-21-16-13-25(15-5-6-15)11-12-26(16)17;1-12(18(19,20)21)29-16(28)25-9-6-17(2,7-10-25)24(3)15(27)13-11-22-14-5-4-8-23-26(13)14/h12,14-15H,4-11,13H2,1-3H3;4,9-10,15,25H,5-8,11-14H2,1-3H3;12,14-15H,3-11,13H2,1-2H3;5-8,15H,9-13H2,1-4H3;4-5,10-11,13H,6-9,12H2,1-3H3;14-15H,5-13H2,1-4H3;4-5,8,11-12H,6-7,9-10H2,1-3H3/b;25-18-;;;;;.
What are the key properties of propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate?
propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate has a molecular weight of 3052.85 g/mol, XLogP of 25.22, 31 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(5-chloro-1-benzothiophen-2-yl)methyl-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboximidate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 160565560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).