1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide

C17H24N2O3 — CID 110673545

IUPAC1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(CO)Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13(21)19-9-7-15(8-10-19)17(22)18-16(12-20)11-14-5-3-2-4-6-14/h2-6,15-16,20H,7-12H2,1H3,(H,18,22)
InChIKeyZQTSQXUDQCKMNR-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.96
Rot. Bonds5

About 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide

1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 110673545) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
PubChem CID110673545
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(CO)Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13(21)19-9-7-15(8-10-19)17(22)18-16(12-20)11-14-5-3-2-4-6-14/h2-6,15-16,20H,7-12H2,1H3,(H,18,22)
InChIKeyZQTSQXUDQCKMNR-UHFFFAOYSA-N
XLogP0.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
CID 91639402
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 75448366
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide (CID 110673545) is 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC(CO)Cc2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is ZQTSQXUDQCKMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(21)19-9-7-15(8-10-19)17(22)18-16(12-20)11-14-5-3-2-4-6-14/h2-6,15-16,20H,7-12H2,1H3,(H,18,22).
What are the key properties of 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide?
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 110673545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).