3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide

C19H28N2O3 — CID 110027227

IUPAC3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide
SMILESO=C(NC(CC1CCOCC1)c1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C19H28N2O3/c22-17-7-4-10-21(14-17)19(23)20-18(16-5-2-1-3-6-16)13-15-8-11-24-12-9-15/h1-3,5-6,15,17-18,22H,4,7-14H2,(H,20,23)
InChIKeyRQNIQAYDUFRCIK-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.71
Rot. Bonds4

About 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide

3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide (PubChem CID 110027227) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide
PubChem CID110027227
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide
SMILESO=C(NC(CC1CCOCC1)c1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C19H28N2O3/c22-17-7-4-10-21(14-17)19(23)20-18(16-5-2-1-3-6-16)13-15-8-11-24-12-9-15/h1-3,5-6,15,17-18,22H,4,7-14H2,(H,20,23)
InChIKeyRQNIQAYDUFRCIK-UHFFFAOYSA-N
XLogP2.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 107224574
N-(2-cyclobutyl-1-phenylethyl)-3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 75518181
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
1-(1-hydroxypropan-2-yl)-1-methyl-3-[2-(oxan-4-yl)-1-phenylethyl]urea
CID 110028474
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895511
N-(dicyclopropylmethyl)-3-hydroxypiperidine-1-carboxamide
CID 110895589
4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61186751
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide (CID 110027227) is 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide is O=C(NC(CC1CCOCC1)c1ccccc1)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide?
The InChIKey is RQNIQAYDUFRCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-17-7-4-10-21(14-17)19(23)20-18(16-5-2-1-3-6-16)13-15-8-11-24-12-9-15/h1-3,5-6,15,17-18,22H,4,7-14H2,(H,20,23).
What are the key properties of 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide?
3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(oxan-4-yl)-1-phenylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 110027227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).