1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one

C18H20N2O — CID 141063687

IUPAC1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one
SMILESO=C1C(c2ccccn2)CCCN1CCc1ccccc1
InChIInChI=1S/C18H20N2O/c21-18-16(17-10-4-5-12-19-17)9-6-13-20(18)14-11-15-7-2-1-3-8-15/h1-5,7-8,10,12,16H,6,9,11,13-14H2
InChIKeyVWXYPKCMGYCHPA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.03
Rot. Bonds4

About 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one

1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one (PubChem CID 141063687) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one
PubChem CID141063687
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one
SMILESO=C1C(c2ccccn2)CCCN1CCc1ccccc1
InChIInChI=1S/C18H20N2O/c21-18-16(17-10-4-5-12-19-17)9-6-13-20(18)14-11-15-7-2-1-3-8-15/h1-5,7-8,10,12,16H,6,9,11,13-14H2
InChIKeyVWXYPKCMGYCHPA-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-1-(2-phenylethyl)-3-piperidin-4-ylazepan-2-one
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3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
(3R)-3-(1-cyclopentylpiperidin-4-yl)-1-(2-phenylethyl)azepan-2-one
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1-(2-phenylethyl)-3-(1-phenylselanylethenyl)azepan-2-one
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2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
1-(2-phenylethyl)-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
CID 68582866
1-benzyl-3-(4-fluorophenyl)piperidin-2-one
CID 22733840
3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 110261900
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
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N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one?
The IUPAC name of 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one (CID 141063687) is 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one is O=C1C(c2ccccn2)CCCN1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one?
The InChIKey is VWXYPKCMGYCHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-18-16(17-10-4-5-12-19-17)9-6-13-20(18)14-11-15-7-2-1-3-8-15/h1-5,7-8,10,12,16H,6,9,11,13-14H2.
What are the key properties of 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one?
1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one is sourced from PubChem (CID 141063687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).