(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one

C14H19NO — CID 135182975

IUPAC(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
SMILESCC(C)[C@@H]1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C14H19NO/c1-11(2)13-9-6-10-15(14(13)16)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyVUPNEZRLKQOKRJ-ZDUSSCGKSA-N
MW217.31 g/mol
LogP3.09
Rot. Bonds2

About (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one

(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one (PubChem CID 135182975) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
PubChem CID135182975
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
SMILESCC(C)[C@@H]1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C14H19NO/c1-11(2)13-9-6-10-15(14(13)16)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyVUPNEZRLKQOKRJ-ZDUSSCGKSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one
CID 14508272
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
(2S)-2-methyl-3-oxo-3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]propanenitrile
CID 125451049
3-amino-1-phenylazepan-2-one
CID 59657864
3-(methylamino)-1-phenylazepan-2-one
CID 20589821
1-phenyl-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
CID 175473820
(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]-1-phenylpyrrolidin-2-one
CID 129411928
1-methyl-3-propan-2-ylpiperidin-2-one
CID 58763606
3-fluoro-1-phenylpyrrolidin-2-one
CID 157010734
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
(3R)-1-phenyl-3-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]piperidin-2-one
CID 96511939
methane;(3R)-1-methyl-3-propan-2-ylpiperidin-2-one
CID 158640398

Frequently Asked Questions

What is the IUPAC name of (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one?
The IUPAC name of (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one (CID 135182975) is (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one?
The canonical SMILES for (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one is CC(C)[C@@H]1CCCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one?
The InChIKey is VUPNEZRLKQOKRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(2)13-9-6-10-15(14(13)16)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one?
(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-phenyl-3-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 135182975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).