tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate

C136H268N28O18 — CID 158125524

IUPACtert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C)C(C)C2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C)CC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCNCC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CNC2CCN(C)CC2)CCN(C(C)C)CC1.CC1CN(CC2(NC(=O)OC(C)C)CCN(C(C)C)CC2)CCN1
InChIInChI=1S/C23H44N4O4.C22H42N4O4.2C19H38N4O2.2C18H36N4O2.C17H34N4O2/c1-17(2)26-11-9-23(10-12-26,24-20(28)30-18(3)4)16-25-13-14-27(19(5)15-25)21(29)31-22(6,7)8;1-17(2)25-10-8-22(9-11-25,23-19(27)29-18(3)4)16-24-12-14-26(15-13-24)20(28)30-21(5,6)7;1-15(2)23-12-8-19(9-13-23,21-18(24)25-16(3)4)14-20-17-6-10-22(5)11-7-17;1-15(2)23-9-7-19(8-10-23,20-18(24)25-16(3)4)14-22-12-11-21(6)17(5)13-22;1-14(2)22-9-6-18(7-10-22,20-17(23)24-15(3)4)13-21-11-8-19-16(5)12-21;1-15(2)22-8-6-18(7-9-22,19-17(23)24-16(3)4)14-21-12-10-20(5)11-13-21;1-14(2)21-9-5-17(6-10-21,19-16(22)23-15(3)4)13-20-11-7-18-8-12-20/h17-19H,9-16H2,1-8H3,(H,24,28);17-18H,8-16H2,1-7H3,(H,23,27);15-17,20H,6-14H2,1-5H3,(H,21,24);15-17H,7-14H2,1-6H3,(H,20,24);14-16,19H,6-13H2,1-5H3,(H,20,23);15-16H,6-14H2,1-5H3,(H,19,23);14-15,18H,5-13H2,1-4H3,(H,19,22)
InChIKeyFSCVNHZXTBIQOA-UHFFFAOYSA-N
MW2583.82 g/mol
LogP14.81
Rot. Bonds36

About tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate

tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate (PubChem CID 158125524) has the molecular formula C136H268N28O18 and a molecular weight of 2583.82 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
PubChem CID158125524
Molecular FormulaC136H268N28O18
Molecular Weight2583.82 g/mol
Exact Mass2582.09
IUPAC Nametert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
SMILESCC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C)C(C)C2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C)CC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCNCC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CNC2CCN(C)CC2)CCN(C(C)C)CC1.CC1CN(CC2(NC(=O)OC(C)C)CCN(C(C)C)CC2)CCN1
InChIInChI=1S/C23H44N4O4.C22H42N4O4.2C19H38N4O2.2C18H36N4O2.C17H34N4O2/c1-17(2)26-11-9-23(10-12-26,24-20(28)30-18(3)4)16-25-13-14-27(19(5)15-25)21(29)31-22(6,7)8;1-17(2)25-10-8-22(9-11-25,23-19(27)29-18(3)4)16-24-12-14-26(15-13-24)20(28)30-21(5,6)7;1-15(2)23-12-8-19(9-13-23,21-18(24)25-16(3)4)14-20-17-6-10-22(5)11-7-17;1-15(2)23-9-7-19(8-10-23,20-18(24)25-16(3)4)14-22-12-11-21(6)17(5)13-22;1-14(2)22-9-6-18(7-10-22,20-17(23)24-15(3)4)13-21-11-8-19-16(5)12-21;1-15(2)22-8-6-18(7-9-22,19-17(23)24-16(3)4)14-21-12-10-20(5)11-13-21;1-14(2)21-9-5-17(6-10-21,19-16(22)23-15(3)4)13-20-11-7-18-8-12-20/h17-19H,9-16H2,1-8H3,(H,24,28);17-18H,8-16H2,1-7H3,(H,23,27);15-17,20H,6-14H2,1-5H3,(H,21,24);15-17H,7-14H2,1-6H3,(H,20,24);14-16,19H,6-13H2,1-5H3,(H,20,23);15-16H,6-14H2,1-5H3,(H,19,23);14-15,18H,5-13H2,1-4H3,(H,19,22)
InChIKeyFSCVNHZXTBIQOA-UHFFFAOYSA-N
XLogP14.81
TPSA415.32 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002583.82
LogP ≤ 514.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

1-[4-methyl-1-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazin-2-yl]propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
CID 137395427
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate;tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;tert-butyl N-[(3S)-1-propan-2-ylpiperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-propan-2-ylpiperidin-3-yl]carbamate;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;(3S)-1-propan-2-ylpiperidin-3-amine;(3R)-1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidine
CID 157300271
Tert-butyl 4-(2-propan-2-yloxyethyl)piperazine-1-carboxylate;1,2-dimethyl-4-(2-propan-2-yloxyethyl)piperazine;1-ethyl-4-(2-propan-2-yloxyethyl)piperazine;1-(2-methoxyethyl)-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;3-methyl-1-(2-propan-2-yloxyethyl)piperazine;4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperazine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1,2,2-trimethyl-4-(2-propan-2-yloxyethyl)piperazine;1,2,6-trimethyl-4-(2-propan-2-yloxyethyl)piperazine
CID 157814546
Tert-butyl 4-(4,4-dimethylpentan-2-yl)piperazine-1-carboxylate;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-3,3-dimethylmorpholine;4-(3,3-dimethylbutyl)-3-methylmorpholine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidine;4-(4,4-dimethylpentan-2-yl)morpholine;1-(4,4-dimethylpentan-2-yl)piperidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;methane;bis(4-(2,3,3-trimethylbutyl)morpholine)
CID 157956362
bis(tert-butyl (3R,5S)-3,5-dimethylpiperidine-1-carboxylate);tert-butyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;(3R,5S)-3,5-dimethylpiperidine;(2R,6S)-2,6-dimethyl-1-propan-2-ylpiperazine
CID 158040858
(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate
CID 158204782
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;cyclopropylmethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;2-methylpropyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 158598556
Tert-butyl 4-tert-butylpiperazine-1-carboxylate;4-tert-butylmorpholine;1-tert-butylpiperidine;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-propan-2-ylpiperazine
CID 158957433
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 159317189
tert-butyl N-(1-propan-2-ylpiperidin-4-yl)carbamate;1,4-di(propan-2-yl)piperazine;tris(4-methyl-1-propan-2-ylpiperidine);4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-amine
CID 159337539
1-(2-aminoethyl)-N-methylpiperidin-4-amine;ethyl N-[2-[4-(methylamino)piperidin-1-yl]ethyl]carbamate;4-ethylpiperidine;2-(4-ethylpiperidin-1-yl)ethanamine;methane;4-methoxypiperidine;N-methylpiperidin-4-amine
CID 159664651
tert-butyl N-methyl-N-(4-methyl-1-propan-2-ylpiperidin-3-yl)carbamate;tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;N,4-dimethyl-1-propan-2-ylpiperidin-3-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol
CID 159812820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate (CID 158125524) is tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate is CC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C)C(C)C2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C)CC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCNCC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CNC2CCN(C)CC2)CCN(C(C)C)CC1.CC1CN(CC2(NC(=O)OC(C)C)CCN(C(C)C)CC2)CCN1.
What is the InChIKey of tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?
The InChIKey is FSCVNHZXTBIQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O4.C22H42N4O4.2C19H38N4O2.2C18H36N4O2.C17H34N4O2/c1-17(2)26-11-9-23(10-12-26,24-20(28)30-18(3)4)16-25-13-14-27(19(5)15-25)21(29)31-22(6,7)8;1-17(2)25-10-8-22(9-11-25,23-19(27)29-18(3)4)16-24-12-14-26(15-13-24)20(28)30-21(5,6)7;1-15(2)23-12-8-19(9-13-23,21-18(24)25-16(3)4)14-20-17-6-10-22(5)11-7-17;1-15(2)23-9-7-19(8-10-23,20-18(24)25-16(3)4)14-22-12-11-21(6)17(5)13-22;1-14(2)22-9-6-18(7-10-22,20-17(23)24-15(3)4)13-21-11-8-19-16(5)12-21;1-15(2)22-8-6-18(7-9-22,19-17(23)24-16(3)4)14-21-12-10-20(5)11-13-21;1-14(2)21-9-5-17(6-10-21,19-16(22)23-15(3)4)13-20-11-7-18-8-12-20/h17-19H,9-16H2,1-8H3,(H,24,28);17-18H,8-16H2,1-7H3,(H,23,27);15-17,20H,6-14H2,1-5H3,(H,21,24);15-17H,7-14H2,1-6H3,(H,20,24);14-16,19H,6-13H2,1-5H3,(H,20,23);15-16H,6-14H2,1-5H3,(H,19,23);14-15,18H,5-13H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate has a molecular weight of 2583.82 g/mol, XLogP of 14.81, 36 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;propan-2-yl N-[4-[(3,4-dimethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate is sourced from PubChem (CID 158125524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).