1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one

C168H269ClF2N23O14S- — CID 158565561

IUPAC1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(c2cccc(F)c2)CC1.CC(C)C(=O)N(C)C1CCN(CCc2ccccc2)CC1.CC(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)C(=O)N1CCC(CCN)CC1.CC(C)C(=O)N1CCC(F)CC1.CC(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.CC(C)C(=O)N1CCC(c2ccccn2)CC1.CC(C)C(=O)N1CCC(c2ccncn2)CC1.CC(C)C(=O)N1CCC(c2cnccn2)CC1.CC(C)C(=O)N1CCC(n2cnc3ccccc32)CC1.CC(C)C(=O)NC1C2CN(C(C)C)CC21.CN(C1CCCCC1)C1CCN(C(=O)C(C)(C)C)CC1.CS(=O)[O-]
InChIInChI=1S/C18H28N2O.C17H32N2O.C16H22FNO.C16H21N3O.C15H20ClNO.C14H20N2O.2C13H19N3O.C13H25NO.C12H22N2O.C11H22N2O.C9H16FNO.CH4O2S/c1-15(2)18(21)19(3)17-10-13-20(14-11-17)12-9-16-7-5-4-6-8-16;1-17(2,3)16(20)19-12-10-15(11-13-19)18(4)14-8-6-5-7-9-14;1-16(2,3)15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13;1-12(2)16(20)18-9-7-13(8-10-18)19-11-17-14-5-3-4-6-15(14)19;1-11(2)15(18)17-9-7-13(8-10-17)12-3-5-14(16)6-4-12;1-11(2)14(17)16-9-6-12(7-10-16)13-5-3-4-8-15-13;1-10(2)13(17)16-7-3-11(4-8-16)12-9-14-5-6-15-12;1-10(2)13(17)16-7-4-11(5-8-16)12-3-6-14-9-15-12;1-10(2)12(15)14-8-6-11(7-9-14)13(3,4)5;1-7(2)12(15)13-11-9-5-14(8(3)4)6-10(9)11;1-9(2)11(14)13-7-4-10(3-6-12)5-8-13;1-7(2)9(12)11-5-3-8(10)4-6-11;1-4(2)3/h4-8,15,17H,9-14H2,1-3H3;14-15H,5-13H2,1-4H3;4-6,11-12H,7-10H2,1-3H3;3-6,11-13H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3;3-5,8,11-12H,6-7,9-10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;7-11H,5-6H2,1-4H3,(H,13,15);9-10H,3-8,12H2,1-2H3;7-8H,3-6H2,1-2H3;1H3,(H,2,3)/p-1
InChIKeyYRNAPJPRPBTTTO-UHFFFAOYSA-M
MW2940.66 g/mol
LogP28.70
Rot. Bonds26

About 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one

1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 158565561) has the molecular formula C168H269ClF2N23O14S- and a molecular weight of 2940.66 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID158565561
Molecular FormulaC168H269ClF2N23O14S-
Molecular Weight2940.66 g/mol
Exact Mass2938.04
IUPAC Name1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(c2cccc(F)c2)CC1.CC(C)C(=O)N(C)C1CCN(CCc2ccccc2)CC1.CC(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)C(=O)N1CCC(CCN)CC1.CC(C)C(=O)N1CCC(F)CC1.CC(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.CC(C)C(=O)N1CCC(c2ccccn2)CC1.CC(C)C(=O)N1CCC(c2ccncn2)CC1.CC(C)C(=O)N1CCC(c2cnccn2)CC1.CC(C)C(=O)N1CCC(n2cnc3ccccc32)CC1.CC(C)C(=O)NC1C2CN(C(C)C)CC21.CN(C1CCCCC1)C1CCN(C(=O)C(C)(C)C)CC1.CS(=O)[O-]
InChIInChI=1S/C18H28N2O.C17H32N2O.C16H22FNO.C16H21N3O.C15H20ClNO.C14H20N2O.2C13H19N3O.C13H25NO.C12H22N2O.C11H22N2O.C9H16FNO.CH4O2S/c1-15(2)18(21)19(3)17-10-13-20(14-11-17)12-9-16-7-5-4-6-8-16;1-17(2,3)16(20)19-12-10-15(11-13-19)18(4)14-8-6-5-7-9-14;1-16(2,3)15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13;1-12(2)16(20)18-9-7-13(8-10-18)19-11-17-14-5-3-4-6-15(14)19;1-11(2)15(18)17-9-7-13(8-10-17)12-3-5-14(16)6-4-12;1-11(2)14(17)16-9-6-12(7-10-16)13-5-3-4-8-15-13;1-10(2)13(17)16-7-3-11(4-8-16)12-9-14-5-6-15-12;1-10(2)13(17)16-7-4-11(5-8-16)12-3-6-14-9-15-12;1-10(2)12(15)14-8-6-11(7-9-14)13(3,4)5;1-7(2)12(15)13-11-9-5-14(8(3)4)6-10(9)11;1-9(2)11(14)13-7-4-10(3-6-12)5-8-13;1-7(2)9(12)11-5-3-8(10)4-6-11;1-4(2)3/h4-8,15,17H,9-14H2,1-3H3;14-15H,5-13H2,1-4H3;4-6,11-12H,7-10H2,1-3H3;3-6,11-13H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3;3-5,8,11-12H,6-7,9-10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;7-11H,5-6H2,1-4H3,(H,13,15);9-10H,3-8,12H2,1-2H3;7-8H,3-6H2,1-2H3;1H3,(H,2,3)/p-1
InChIKeyYRNAPJPRPBTTTO-UHFFFAOYSA-M
XLogP28.70
TPSA410.65 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002940.66
LogP ≤ 528.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one 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-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-cyanopyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2-methylpropan-1-one;N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-2,2-dimethylpropanamide;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 161261942
N-[3-[6-(3-chloro-4-fluorophenyl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;(Z)-N-[3-[6-(2,2-dimethylpropyl)pyrazin-2-yl]benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide;N-[1-[4-(2,2-dimethylpropyl)pyrimidin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide;N-[3-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 160580991
4-[4-(2-aminoethyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(benzimidazol-1-yl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-tert-butylpiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(4-chlorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-[cyclohexyl(methyl)amino]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-[4-(3-fluorophenyl)piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(4-fluoropiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;methanesulfinate;6-methyl-4-(4-pyrazin-2-ylpiperidine-1-carbonyl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 161485687
N-[3-[1-[3-[[1-(4-chlorophenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[2-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]ethyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[4-(4-chlorophenyl)quinazolin-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide;N-[3-[1-[3-[(4-phenylquinolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 161888245

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one (CID 158565561) is 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCC(c2cccc(F)c2)CC1.CC(C)C(=O)N(C)C1CCN(CCc2ccccc2)CC1.CC(C)C(=O)N1CCC(C(C)(C)C)CC1.CC(C)C(=O)N1CCC(CCN)CC1.CC(C)C(=O)N1CCC(F)CC1.CC(C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.CC(C)C(=O)N1CCC(c2ccccn2)CC1.CC(C)C(=O)N1CCC(c2ccncn2)CC1.CC(C)C(=O)N1CCC(c2cnccn2)CC1.CC(C)C(=O)N1CCC(n2cnc3ccccc32)CC1.CC(C)C(=O)NC1C2CN(C(C)C)CC21.CN(C1CCCCC1)C1CCN(C(=O)C(C)(C)C)CC1.CS(=O)[O-].
What is the InChIKey of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is YRNAPJPRPBTTTO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H28N2O.C17H32N2O.C16H22FNO.C16H21N3O.C15H20ClNO.C14H20N2O.2C13H19N3O.C13H25NO.C12H22N2O.C11H22N2O.C9H16FNO.CH4O2S/c1-15(2)18(21)19(3)17-10-13-20(14-11-17)12-9-16-7-5-4-6-8-16;1-17(2,3)16(20)19-12-10-15(11-13-19)18(4)14-8-6-5-7-9-14;1-16(2,3)15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13;1-12(2)16(20)18-9-7-13(8-10-18)19-11-17-14-5-3-4-6-15(14)19;1-11(2)15(18)17-9-7-13(8-10-17)12-3-5-14(16)6-4-12;1-11(2)14(17)16-9-6-12(7-10-16)13-5-3-4-8-15-13;1-10(2)13(17)16-7-3-11(4-8-16)12-9-14-5-6-15-12;1-10(2)13(17)16-7-4-11(5-8-16)12-3-6-14-9-15-12;1-10(2)12(15)14-8-6-11(7-9-14)13(3,4)5;1-7(2)12(15)13-11-9-5-14(8(3)4)6-10(9)11;1-9(2)11(14)13-7-4-10(3-6-12)5-8-13;1-7(2)9(12)11-5-3-8(10)4-6-11;1-4(2)3/h4-8,15,17H,9-14H2,1-3H3;14-15H,5-13H2,1-4H3;4-6,11-12H,7-10H2,1-3H3;3-6,11-13H,7-10H2,1-2H3;3-6,11,13H,7-10H2,1-2H3;3-5,8,11-12H,6-7,9-10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;3,6,9-11H,4-5,7-8H2,1-2H3;10-11H,6-9H2,1-5H3;7-11H,5-6H2,1-4H3,(H,13,15);9-10H,3-8,12H2,1-2H3;7-8H,3-6H2,1-2H3;1H3,(H,2,3)/p-1.
What are the key properties of 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one?
1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 2940.66 g/mol, XLogP of 28.70, 26 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-methylpropan-1-one;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-1-one;1-[4-(4-chlorophenyl)piperidin-1-yl]-2-methylpropan-1-one;1-[4-[cyclohexyl(methyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;N,2-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;1-[4-(3-fluorophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluoropiperidin-1-yl)-2-methylpropan-1-one;methanesulfinate;2-methyl-N-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)propanamide;2-methyl-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyridin-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 158565561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).