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

C15H22N2O2 — CID 81141325

IUPAC(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)[C@H]1CCCNC1
InChIInChI=1S/C15H22N2O2/c18-11-14(9-12-5-2-1-3-6-12)17-15(19)13-7-4-8-16-10-13/h1-3,5-6,13-14,16,18H,4,7-11H2,(H,17,19)/t13-,14?/m0/s1
InChIKeyZMZUSIXBACFTJK-LSLKUGRBSA-N
MW262.35 g/mol
LogP0.71
Rot. Bonds5

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

(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide (PubChem CID 81141325) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
PubChem CID81141325
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
SMILESO=C(NC(CO)Cc1ccccc1)[C@H]1CCCNC1
InChIInChI=1S/C15H22N2O2/c18-11-14(9-12-5-2-1-3-6-12)17-15(19)13-7-4-8-16-10-13/h1-3,5-6,13-14,16,18H,4,7-11H2,(H,17,19)/t13-,14?/m0/s1
InChIKeyZMZUSIXBACFTJK-LSLKUGRBSA-N
XLogP0.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
N-[(E)-5-benzyl-6-hydroxy-1-naphthalen-2-ylhex-3-en-2-yl]piperidine-3-carboxamide
CID 22949382
(2R)-3-phenyl-2-(piperidin-3-ylamino)propan-1-ol
CID 107860804
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119304562

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide (CID 81141325) is (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide is O=C(NC(CO)Cc1ccccc1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide?
The InChIKey is ZMZUSIXBACFTJK-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-11-14(9-12-5-2-1-3-6-12)17-15(19)13-7-4-8-16-10-13/h1-3,5-6,13-14,16,18H,4,7-11H2,(H,17,19)/t13-,14?/m0/s1.
What are the key properties of (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide?
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81141325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).