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

C95H116ClN9O3 — CID 158620792

IUPAC1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(Cc4ccccc4)CC3)c3ccccc23)c1.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C32H37N3O.C32H45N3O.C31H34ClN3O/c1-25-9-7-12-28(21-25)23-33-32(36)30-24-35(31-14-6-5-13-29(30)31)18-8-17-34-19-15-27(16-20-34)22-26-10-3-2-4-11-26;1-3-5-12-26(4-2)24-33-32(36)30-25-35(31-16-10-9-15-29(30)31)20-11-19-34-21-17-28(18-22-34)23-27-13-7-6-8-14-27;32-27-11-6-10-26(21-27)22-33-31(36)29-23-35(30-13-5-4-12-28(29)30)17-7-16-34-18-14-25(15-19-34)20-24-8-2-1-3-9-24/h2-7,9-14,21,24,27H,8,15-20,22-23H2,1H3,(H,33,36);6-10,13-16,25-26,28H,3-5,11-12,17-24H2,1-2H3,(H,33,36);1-6,8-13,21,23,25H,7,14-20,22H2,(H,33,36)
InChIKeyHXYSBPUUEXYKIN-UHFFFAOYSA-N
MW1467.49 g/mol
LogP19.73
Rot. Bonds31

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

1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide (PubChem CID 158620792) has the molecular formula C95H116ClN9O3 and a molecular weight of 1467.49 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide
PubChem CID158620792
Molecular FormulaC95H116ClN9O3
Molecular Weight1467.49 g/mol
Exact Mass1465.89
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(Cc4ccccc4)CC3)c3ccccc23)c1.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C32H37N3O.C32H45N3O.C31H34ClN3O/c1-25-9-7-12-28(21-25)23-33-32(36)30-24-35(31-14-6-5-13-29(30)31)18-8-17-34-19-15-27(16-20-34)22-26-10-3-2-4-11-26;1-3-5-12-26(4-2)24-33-32(36)30-25-35(31-16-10-9-15-29(30)31)20-11-19-34-21-17-28(18-22-34)23-27-13-7-6-8-14-27;32-27-11-6-10-26(21-27)22-33-31(36)29-23-35(30-13-5-4-12-28(29)30)17-7-16-34-18-14-25(15-19-34)20-24-8-2-1-3-9-24/h2-7,9-14,21,24,27H,8,15-20,22-23H2,1H3,(H,33,36);6-10,13-16,25-26,28H,3-5,11-12,17-24H2,1-2H3,(H,33,36);1-6,8-13,21,23,25H,7,14-20,22H2,(H,33,36)
InChIKeyHXYSBPUUEXYKIN-UHFFFAOYSA-N
XLogP19.73
TPSA111.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds31
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001467.49
LogP ≤ 519.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)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-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide (CID 158620792) is 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide is CCCCC(CC)CNC(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.Cc1cccc(CNC(=O)c2cn(CCCN3CCC(Cc4ccccc4)CC3)c3ccccc23)c1.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The InChIKey is HXYSBPUUEXYKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O.C32H45N3O.C31H34ClN3O/c1-25-9-7-12-28(21-25)23-33-32(36)30-24-35(31-14-6-5-13-29(30)31)18-8-17-34-19-15-27(16-20-34)22-26-10-3-2-4-11-26;1-3-5-12-26(4-2)24-33-32(36)30-25-35(31-16-10-9-15-29(30)31)20-11-19-34-21-17-28(18-22-34)23-27-13-7-6-8-14-27;32-27-11-6-10-26(21-27)22-33-31(36)29-23-35(30-13-5-4-12-28(29)30)17-7-16-34-18-14-25(15-19-34)20-24-8-2-1-3-9-24/h2-7,9-14,21,24,27H,8,15-20,22-23H2,1H3,(H,33,36);6-10,13-16,25-26,28H,3-5,11-12,17-24H2,1-2H3,(H,33,36);1-6,8-13,21,23,25H,7,14-20,22H2,(H,33,36).
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide has a molecular weight of 1467.49 g/mol, XLogP of 19.73, 31 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-[(3-chlorophenyl)methyl]indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2-ethylhexyl)indole-3-carboxamide;1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 158620792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).