N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone

C87H90Cl3N9O5 — CID 158803068

IUPACN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone
SMILESC=C(C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)N1CCCC1.Cc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.O=C(NCc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H32ClN3O2.C29H28ClN3O2.C27H30ClN3O/c1-22-6-8-23(9-7-22)14-17-33-30(36)25-15-18-34(19-16-25)31(37)29-20-26-4-2-3-5-28(26)35(29)21-24-10-12-27(32)13-11-24;30-25-12-10-22(11-13-25)20-33-26-9-5-4-8-24(26)18-27(33)29(35)32-16-14-23(15-17-32)28(34)31-19-21-6-2-1-3-7-21;1-20(29-14-4-5-15-29)22-12-16-30(17-13-22)27(32)26-18-23-6-2-3-7-25(23)31(26)19-21-8-10-24(28)11-9-21/h2-13,20,25H,14-19,21H2,1H3,(H,33,36);1-13,18,23H,14-17,19-20H2,(H,31,34);2-3,6-11,18,22H,1,4-5,12-17,19H2
InChIKeyITSPZULXJICLIL-UHFFFAOYSA-N
MW1448.09 g/mol
LogP17.18
Rot. Bonds18

About N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone

N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone (PubChem CID 158803068) has the molecular formula C87H90Cl3N9O5 and a molecular weight of 1448.09 g/mol. Its IUPAC name is N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound NameN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone
PubChem CID158803068
Molecular FormulaC87H90Cl3N9O5
Molecular Weight1448.09 g/mol
Exact Mass1445.61
IUPAC NameN-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone
SMILESC=C(C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)N1CCCC1.Cc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.O=C(NCc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C31H32ClN3O2.C29H28ClN3O2.C27H30ClN3O/c1-22-6-8-23(9-7-22)14-17-33-30(36)25-15-18-34(19-16-25)31(37)29-20-26-4-2-3-5-28(26)35(29)21-24-10-12-27(32)13-11-24;30-25-12-10-22(11-13-25)20-33-26-9-5-4-8-24(26)18-27(33)29(35)32-16-14-23(15-17-32)28(34)31-19-21-6-2-1-3-7-21;1-20(29-14-4-5-15-29)22-12-16-30(17-13-22)27(32)26-18-23-6-2-3-7-25(23)31(26)19-21-8-10-24(28)11-9-21/h2-13,20,25H,14-19,21H2,1H3,(H,33,36);1-13,18,23H,14-17,19-20H2,(H,31,34);2-3,6-11,18,22H,1,4-5,12-17,19H2
InChIKeyITSPZULXJICLIL-UHFFFAOYSA-N
XLogP17.18
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001448.09
LogP ≤ 517.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

spantide II
CID 16131028
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-((2,3-dihydro-1H-inden-2-yl)methyl)piperidine-4-carboxamide
CID 56927671
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(2-(pyridin-4-yl)ethyl)piperidine-4-carboxamide
CID 66571217
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(1R)-1-pyridin-4-ylethyl]piperidine-4-carboxamide
CID 72736887
(R)-1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 56929805
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 57386067
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(2-(pyridin-3-yl)ethyl)piperidine-4-carboxamide
CID 66571216
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(1-(pyridin-4-yl)ethyl)piperidine-4-carboxamide
CID 66571218
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(2-(pyridin-4-yl)propyl)piperidine-4-carboxamide
CID 66571338
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(4-chlorophenethyl)piperidine-4-carboxamide
CID 66571402
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(1-(2,3-dihydro-1H-inden-2-yl)ethyl)piperidine-4-carboxamide
CID 66571629
1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-((2,3-dihydro-1H-inden-1-yl)methyl)piperidine-4-carboxamide
CID 66571682

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone?
The IUPAC name of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone (CID 158803068) is N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone.
What is the SMILES notation for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone?
The canonical SMILES for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone is C=C(C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)N1CCCC1.Cc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1.O=C(NCc1ccccc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone?
The InChIKey is ITSPZULXJICLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN3O2.C29H28ClN3O2.C27H30ClN3O/c1-22-6-8-23(9-7-22)14-17-33-30(36)25-15-18-34(19-16-25)31(37)29-20-26-4-2-3-5-28(26)35(29)21-24-10-12-27(32)13-11-24;30-25-12-10-22(11-13-25)20-33-26-9-5-4-8-24(26)18-27(33)29(35)32-16-14-23(15-17-32)28(34)31-19-21-6-2-1-3-7-21;1-20(29-14-4-5-15-29)22-12-16-30(17-13-22)27(32)26-18-23-6-2-3-7-25(23)31(26)19-21-8-10-24(28)11-9-21/h2-13,20,25H,14-19,21H2,1H3,(H,33,36);1-13,18,23H,14-17,19-20H2,(H,31,34);2-3,6-11,18,22H,1,4-5,12-17,19H2.
What are the key properties of N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone?
N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone has a molecular weight of 1448.09 g/mol, XLogP of 17.18, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;[1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 158803068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).