1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide

C87H107Cl2N9O3 — CID 158654604

IUPAC1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(=O)NCc3ccccc3Cl)c3ccccc32)CC1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C31H34ClN3O.C28H36ClN3O.C28H37N3O/c32-27-13-11-26(12-14-27)22-33-31(36)29-23-35(30-10-5-4-9-28(29)30)18-6-17-34-19-15-25(16-20-34)21-24-7-2-1-3-8-24;1-2-3-9-22-14-18-31(19-15-22)16-8-17-32-21-25(24-11-5-7-13-27(24)32)28(33)30-20-23-10-4-6-12-26(23)29;1-22(2)20-29-28(32)26-21-31(27-12-7-6-11-25(26)27)16-8-15-30-17-13-24(14-18-30)19-23-9-4-3-5-10-23/h1-5,7-14,23,25H,6,15-22H2,(H,33,36);4-7,10-13,21-22H,2-3,8-9,14-20H2,1H3,(H,30,33);3-7,9-12,21-22,24H,8,13-20H2,1-2H3,(H,29,32)
InChIKeyIBZBBVGLBZNEEV-UHFFFAOYSA-N
MW1397.78 g/mol
LogP18.46
Rot. Bonds28

About 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide

1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide (PubChem CID 158654604) has the molecular formula C87H107Cl2N9O3 and a molecular weight of 1397.78 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
PubChem CID158654604
Molecular FormulaC87H107Cl2N9O3
Molecular Weight1397.78 g/mol
Exact Mass1395.79
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(=O)NCc3ccccc3Cl)c3ccccc32)CC1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C31H34ClN3O.C28H36ClN3O.C28H37N3O/c32-27-13-11-26(12-14-27)22-33-31(36)29-23-35(30-10-5-4-9-28(29)30)18-6-17-34-19-15-25(16-20-34)21-24-7-2-1-3-8-24;1-2-3-9-22-14-18-31(19-15-22)16-8-17-32-21-25(24-11-5-7-13-27(24)32)28(33)30-20-23-10-4-6-12-26(23)29;1-22(2)20-29-28(32)26-21-31(27-12-7-6-11-25(26)27)16-8-15-30-17-13-24(14-18-30)19-23-9-4-3-5-10-23/h1-5,7-14,23,25H,6,15-22H2,(H,33,36);4-7,10-13,21-22H,2-3,8-9,14-20H2,1H3,(H,30,33);3-7,9-12,21-22,24H,8,13-20H2,1-2H3,(H,29,32)
InChIKeyIBZBBVGLBZNEEV-UHFFFAOYSA-N
XLogP18.46
TPSA111.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001397.78
LogP ≤ 518.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide (CID 158654604) is 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide is CC(C)CNC(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(=O)NCc3ccccc3Cl)c3ccccc32)CC1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide?
The InChIKey is IBZBBVGLBZNEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3O.C28H36ClN3O.C28H37N3O/c32-27-13-11-26(12-14-27)22-33-31(36)29-23-35(30-10-5-4-9-28(29)30)18-6-17-34-19-15-25(16-20-34)21-24-7-2-1-3-8-24;1-2-3-9-22-14-18-31(19-15-22)16-8-17-32-21-25(24-11-5-7-13-27(24)32)28(33)30-20-23-10-4-6-12-26(23)29;1-22(2)20-29-28(32)26-21-31(27-12-7-6-11-25(26)27)16-8-15-30-17-13-24(14-18-30)19-23-9-4-3-5-10-23/h1-5,7-14,23,25H,6,15-22H2,(H,33,36);4-7,10-13,21-22H,2-3,8-9,14-20H2,1H3,(H,30,33);3-7,9-12,21-22,24H,8,13-20H2,1-2H3,(H,29,32).
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide?
1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide has a molecular weight of 1397.78 g/mol, XLogP of 18.46, 28 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(4-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(4-butylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 158654604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).