3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide

C28H27N3O2 — CID 54236373

IUPAC3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(N3CCC(Cc4ccccc4)CC3)cc2c1C(=O)c1ccccc1
InChIInChI=1S/C28H27N3O2/c29-28(33)26-25(27(32)21-9-5-2-6-10-21)23-18-22(11-12-24(23)30-26)31-15-13-20(14-16-31)17-19-7-3-1-4-8-19/h1-12,18,20,30H,13-17H2,(H2,29,33)
InChIKeyQMWDBQVGKUOECA-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.96
Rot. Bonds6

About 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide

3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide (PubChem CID 54236373) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide
PubChem CID54236373
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(N3CCC(Cc4ccccc4)CC3)cc2c1C(=O)c1ccccc1
InChIInChI=1S/C28H27N3O2/c29-28(33)26-25(27(32)21-9-5-2-6-10-21)23-18-22(11-12-24(23)30-26)31-15-13-20(14-16-31)17-19-7-3-1-4-8-19/h1-12,18,20,30H,13-17H2,(H2,29,33)
InChIKeyQMWDBQVGKUOECA-UHFFFAOYSA-N
XLogP4.96
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide
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2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 83971754
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
CID 91071189
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-benzyl-1-(3-nitrophenyl)piperidine
CID 11652301
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
1-[2-(4-benzylpiperidin-1-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 147321423

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide?
The IUPAC name of 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide (CID 54236373) is 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(N3CCC(Cc4ccccc4)CC3)cc2c1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide?
The InChIKey is QMWDBQVGKUOECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c29-28(33)26-25(27(32)21-9-5-2-6-10-21)23-18-22(11-12-24(23)30-26)31-15-13-20(14-16-31)17-19-7-3-1-4-8-19/h1-12,18,20,30H,13-17H2,(H2,29,33).
What are the key properties of 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide?
3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-(4-benzylpiperidin-1-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 54236373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).