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

C23H26ClN3O — CID 50807763

IUPAC1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C23H26ClN3O/c1-25-23(28)17-10-12-26(13-11-17)16-20-14-18-6-3-5-9-22(18)27(20)15-19-7-2-4-8-21(19)24/h2-9,14,17H,10-13,15-16H2,1H3,(H,25,28)
InChIKeyJSCLFDZBSGURJO-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.30
Rot. Bonds5

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

1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 50807763) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID50807763
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C23H26ClN3O/c1-25-23(28)17-10-12-26(13-11-17)16-20-14-18-6-3-5-9-22(18)27(20)15-19-7-2-4-8-21(19)24/h2-9,14,17H,10-13,15-16H2,1H3,(H,25,28)
InChIKeyJSCLFDZBSGURJO-UHFFFAOYSA-N
XLogP4.30
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807667
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 50807813
N-benzyl-1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807642
N-[(2R)-butan-2-yl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 94223708
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 50807526
1-[(1-benzylindol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50807953
N-[(4-chlorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585885
N-[(4-fluorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807882
N-[(2-fluorophenyl)methyl]-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585914
N-benzyl-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 22585883
1-[[1-[(2-methylphenyl)methyl]indol-2-yl]methyl]-N-(3-pyrrolidin-1-ylbutyl)piperidine-4-carboxamide
CID 22585874
N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
CID 50807588

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide (CID 50807763) is 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is JSCLFDZBSGURJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-25-23(28)17-10-12-26(13-11-17)16-20-14-18-6-3-5-9-22(18)27(20)15-19-7-2-4-8-21(19)24/h2-9,14,17H,10-13,15-16H2,1H3,(H,25,28).
What are the key properties of 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide?
1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-chlorophenyl)methyl]indol-2-yl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 50807763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).