N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

C30H32ClN3O — CID 22585885

IUPACN-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)cc3ccccc32)cc1
InChIInChI=1S/C30H32ClN3O/c1-22-6-8-24(9-7-22)20-34-28(18-26-4-2-3-5-29(26)34)21-33-16-14-25(15-17-33)30(35)32-19-23-10-12-27(31)13-11-23/h2-13,18,25H,14-17,19-21H2,1H3,(H,32,35)
InChIKeyVEKMXZAIHXXLNA-UHFFFAOYSA-N
MW486.06 g/mol
LogP6.18
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 22585885) has the molecular formula C30H32ClN3O and a molecular weight of 486.06 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID22585885
Molecular FormulaC30H32ClN3O
Molecular Weight486.06 g/mol
Exact Mass485.22
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)cc3ccccc32)cc1
InChIInChI=1S/C30H32ClN3O/c1-22-6-8-24(9-7-22)20-34-28(18-26-4-2-3-5-29(26)34)21-33-16-14-25(15-17-33)30(35)32-19-23-10-12-27(31)13-11-23/h2-13,18,25H,14-17,19-21H2,1H3,(H,32,35)
InChIKeyVEKMXZAIHXXLNA-UHFFFAOYSA-N
XLogP6.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.06
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807625
N-[(2-ethoxyphenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585915
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
N-[[4-(dimethylamino)phenyl]methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807745
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807728
N-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807813
1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 50807756
N-[(3S)-1,1-dioxothiolan-3-yl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 92714995
1-[(1-benzylindol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50807953

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide (CID 22585885) is N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)cc3ccccc32)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is VEKMXZAIHXXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O/c1-22-6-8-24(9-7-22)20-34-28(18-26-4-2-3-5-29(26)34)21-33-16-14-25(15-17-33)30(35)32-19-23-10-12-27(31)13-11-23/h2-13,18,25H,14-17,19-21H2,1H3,(H,32,35).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 486.06 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 22585885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).