1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one

C19H22N2O2 — CID 95298452

IUPAC1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-18-11-5-6-12-20(18)15-19(23)21-13-7-4-10-17(21)14-16-8-2-1-3-9-16/h1-3,5-6,8-9,11-12,17H,4,7,10,13-15H2/t17-/m0/s1
InChIKeyCBWSHLCMJWSTFI-KRWDZBQOSA-N
MW310.40 g/mol
LogP2.47
Rot. Bonds4

About 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 95298452) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID95298452
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CCCC[C@H]1Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-18-11-5-6-12-20(18)15-19(23)21-13-7-4-10-17(21)14-16-8-2-1-3-9-16/h1-3,5-6,8-9,11-12,17H,4,7,10,13-15H2/t17-/m0/s1
InChIKeyCBWSHLCMJWSTFI-KRWDZBQOSA-N
XLogP2.47
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 116636217
1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 97240246
1-[2-[(2S,3R)-2-benzyl-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 131697074
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
N-benzyl-2-oxo-1-[2-oxo-2-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]pyridine-3-carboxamide
CID 92635351
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 66261805
1-[(2R)-2-benzylpiperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 97015300
(5R)-5-[(2S)-2-benzylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95351095
1-(2-benzylpiperidin-1-yl)-3-(3-but-3-ynyldiaziridin-3-yl)propan-1-one
CID 146434846
1-[(2S)-2-benzylpiperidin-1-yl]-4-(2-methoxyethoxy)butan-1-one
CID 95295343

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 95298452) is 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CCCC[C@H]1Cc1ccccc1.
What is the InChIKey of 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is CBWSHLCMJWSTFI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-11-5-6-12-20(18)15-19(23)21-13-7-4-10-17(21)14-16-8-2-1-3-9-16/h1-3,5-6,8-9,11-12,17H,4,7,10,13-15H2/t17-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 95298452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).