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

C19H28N2O3 — CID 109388022

IUPAC1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NC(CO)Cc2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-2-7-18(23)21-11-6-10-16(13-21)19(24)20-17(14-22)12-15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,2,6-7,10-14H2,1H3,(H,20,24)
InChIKeyTXBUDIVBSMZXFV-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.74
Rot. Bonds7

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

1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide (PubChem CID 109388022) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
PubChem CID109388022
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
SMILESCCCC(=O)N1CCCC(C(=O)NC(CO)Cc2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-2-7-18(23)21-11-6-10-16(13-21)19(24)20-17(14-22)12-15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,2,6-7,10-14H2,1H3,(H,20,24)
InChIKeyTXBUDIVBSMZXFV-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-butanoylpiperidine-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547104
2-[(1-butanoylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119165985
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
(3S)-1-octanoyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]piperidine-3-carboxamide
CID 135300976
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
3-[(1-butanoylpiperidine-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219172
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
ethyl (3R)-4-phenyl-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]butanoate;2,2,2-trifluoroacetic acid
CID 70112276
1-butanoyl-N-[2-(2-phenylethoxy)phenyl]piperidine-3-carboxamide
CID 55931737
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide (CID 109388022) is 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide is CCCC(=O)N1CCCC(C(=O)NC(CO)Cc2ccccc2)C1.
What is the InChIKey of 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide?
The InChIKey is TXBUDIVBSMZXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-7-18(23)21-11-6-10-16(13-21)19(24)20-17(14-22)12-15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,2,6-7,10-14H2,1H3,(H,20,24).
What are the key properties of 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide?
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 109388022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).