1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide

C16H23N3O2 — CID 119697874

IUPAC1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
SMILESCC(N)CC(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12(17)10-15(20)19-9-5-6-13(11-19)16(21)18-14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11,17H2,1H3,(H,18,21)
InChIKeyURNGZBKVTXYXBK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds4

About 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide

1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 119697874) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID119697874
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
SMILESCC(N)CC(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12(17)10-15(20)19-9-5-6-13(11-19)16(21)18-14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11,17H2,1H3,(H,18,21)
InChIKeyURNGZBKVTXYXBK-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide (CID 119697874) is 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide is CC(N)CC(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is URNGZBKVTXYXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(17)10-15(20)19-9-5-6-13(11-19)16(21)18-14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11,17H2,1H3,(H,18,21).
What are the key properties of 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide?
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 119697874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).