1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide

C22H25N3O — CID 51118445

IUPAC1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
SMILESCc1cc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc2[nH]1
InChIInChI=1S/C22H25N3O/c1-16-13-19-14-20(7-8-21(19)23-16)24-22(26)18-9-11-25(12-10-18)15-17-5-3-2-4-6-17/h2-8,13-14,18,23H,9-12,15H2,1H3,(H,24,26)
InChIKeyNFSHVQQZOMNENA-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.33
Rot. Bonds4

About 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide

1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide (PubChem CID 51118445) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
PubChem CID51118445
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
SMILESCc1cc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc2[nH]1
InChIInChI=1S/C22H25N3O/c1-16-13-19-14-20(7-8-21(19)23-16)24-22(26)18-9-11-25(12-10-18)15-17-5-3-2-4-6-17/h2-8,13-14,18,23H,9-12,15H2,1H3,(H,24,26)
InChIKeyNFSHVQQZOMNENA-UHFFFAOYSA-N
XLogP4.33
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1H-indol-5-yl)oxane-4-carboxamide
CID 97185524
4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
CID 112526211
1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048298
1-benzyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45013570
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide
CID 94658175
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide
CID 22261018

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide (CID 51118445) is 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide is Cc1cc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc2[nH]1.
What is the InChIKey of 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide?
The InChIKey is NFSHVQQZOMNENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-13-19-14-20(7-8-21(19)23-16)24-22(26)18-9-11-25(12-10-18)15-17-5-3-2-4-6-17/h2-8,13-14,18,23H,9-12,15H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide?
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51118445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).