4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide

C24H38N4O2 — CID 95065266

IUPAC4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H](CCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)N1CCCCCC1
InChIInChI=1S/C24H38N4O2/c1-20(27-15-7-2-3-8-16-27)11-14-25-23(29)19-21-12-17-28(18-13-21)24(30)26-22-9-5-4-6-10-22/h4-6,9-10,20-21H,2-3,7-8,11-19H2,1H3,(H,25,29)(H,26,30)/t20-/m1/s1
InChIKeyBHKCMCPCQSTDGE-HXUWFJFHSA-N
MW414.59 g/mol
LogP4.09
Rot. Bonds7

About 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide

4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 95065266) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
PubChem CID95065266
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H](CCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)N1CCCCCC1
InChIInChI=1S/C24H38N4O2/c1-20(27-15-7-2-3-8-16-27)11-14-25-23(29)19-21-12-17-28(18-13-21)24(30)26-22-9-5-4-6-10-22/h4-6,9-10,20-21H,2-3,7-8,11-19H2,1H3,(H,25,29)(H,26,30)/t20-/m1/s1
InChIKeyBHKCMCPCQSTDGE-HXUWFJFHSA-N
XLogP4.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[(3S)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95065270
N-cyclohexyl-4-[2-oxo-2-[[(3R)-3-pyrrolidin-1-ylbutyl]amino]ethyl]piperidine-1-carboxamide
CID 95065264
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide
CID 92888158
4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-N-phenylpiperidine-1-carboxamide
CID 93071884
N-(4-methylphenyl)-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]piperidine-1-carboxamide
CID 52998822
4-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 52998801
4-(hydroxymethyl)-N-(3-piperidin-1-ylbutyl)piperidine-1-carboxamide
CID 84601030
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
N-[(3S)-3-(azepan-1-yl)butyl]-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 95088784
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819
4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 52998803
4-heptan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174858

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide (CID 95065266) is 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide is C[C@H](CCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)N1CCCCCC1.
What is the InChIKey of 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is BHKCMCPCQSTDGE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-20(27-15-7-2-3-8-16-27)11-14-25-23(29)19-21-12-17-28(18-13-21)24(30)26-22-9-5-4-6-10-22/h4-6,9-10,20-21H,2-3,7-8,11-19H2,1H3,(H,25,29)(H,26,30)/t20-/m1/s1.
What are the key properties of 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide?
4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 414.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(3R)-3-(azepan-1-yl)butyl]amino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95065266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).