(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide

C16H23N3O3 — CID 94165774

IUPAC(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)17-15(21)12-5-7-13(8-6-12)18-16(22)19-9-3-4-14(20)10-19/h5-8,11,14,20H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,22)/t14-/m0/s1
InChIKeyGBVVHAZLBWZVLS-AWEZNQCLSA-N
MW305.38 g/mol
LogP1.81
Rot. Bonds3

About (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide

(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 94165774) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID94165774
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C16H23N3O3/c1-11(2)17-15(21)12-5-7-13(8-6-12)18-16(22)19-9-3-4-14(20)10-19/h5-8,11,14,20H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,22)/t14-/m0/s1
InChIKeyGBVVHAZLBWZVLS-AWEZNQCLSA-N
XLogP1.81
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
(3R)-N-[4-(cyclopentylcarbamoyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94153607
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077559
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111111748
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide
CID 79163310

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 94165774) is (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)N2CCC[C@H](O)C2)cc1.
What is the InChIKey of (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is GBVVHAZLBWZVLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(2)17-15(21)12-5-7-13(8-6-12)18-16(22)19-9-3-4-14(20)10-19/h5-8,11,14,20H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,22)/t14-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide?
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 94165774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).