N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide

C23H23N3O3 — CID 42650295

IUPACN-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1
InChIInChI=1S/C23H23N3O3/c1-15(27)16-6-8-20(9-7-16)25-22(28)19-3-2-12-26(14-19)23(29)18-5-4-17-10-11-24-21(17)13-18/h4-11,13,19,24H,2-3,12,14H2,1H3,(H,25,28)
InChIKeyYMJFZUHSUCDDAV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.86
Rot. Bonds4

About N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide

N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide (PubChem CID 42650295) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
PubChem CID42650295
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1
InChIInChI=1S/C23H23N3O3/c1-15(27)16-6-8-20(9-7-16)25-22(28)19-3-2-12-26(14-19)23(29)18-5-4-17-10-11-24-21(17)13-18/h4-11,13,19,24H,2-3,12,14H2,1H3,(H,25,28)
InChIKeyYMJFZUHSUCDDAV-UHFFFAOYSA-N
XLogP3.86
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41087933
(3R)-N-(3-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 41091330
(3S)-N-(3,5-dimethoxyphenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41129492
[1-(1H-indole-6-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 51128572
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344318
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide (CID 42650295) is N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide is CC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide?
The InChIKey is YMJFZUHSUCDDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(27)16-6-8-20(9-7-16)25-22(28)19-3-2-12-26(14-19)23(29)18-5-4-17-10-11-24-21(17)13-18/h4-11,13,19,24H,2-3,12,14H2,1H3,(H,25,28).
What are the key properties of N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide?
N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42650295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).