N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide

C23H24N4O3 — CID 42649922

IUPACN-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C23H24N4O3/c1-15(28)24-18-8-4-9-19(13-18)25-22(29)17-7-5-11-27(14-17)23(30)21-12-16-6-2-3-10-20(16)26-21/h2-4,6,8-10,12-13,17,26H,5,7,11,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyBKVBWVAXNVVKHJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.62
Rot. Bonds4

About N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide

N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42649922) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
PubChem CID42649922
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C23H24N4O3/c1-15(28)24-18-8-4-9-19(13-18)25-22(29)17-7-5-11-27(14-17)23(30)21-12-16-6-2-3-10-20(16)26-21/h2-4,6,8-10,12-13,17,26H,5,7,11,14H2,1H3,(H,24,28)(H,25,29)
InChIKeyBKVBWVAXNVVKHJ-UHFFFAOYSA-N
XLogP3.62
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
N-(2,4-dimethoxyphenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 42649283
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 42565952
(3R)-N-(4-acetamidophenyl)-1-(1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 41087933

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide (CID 42649922) is N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is BKVBWVAXNVVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15(28)24-18-8-4-9-19(13-18)25-22(29)17-7-5-11-27(14-17)23(30)21-12-16-6-2-3-10-20(16)26-21/h2-4,6,8-10,12-13,17,26H,5,7,11,14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide?
N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(1H-indole-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42649922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).