5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one

C19H22N2O2 — CID 97465061

IUPAC5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O2/c1-14-10-15(2)12-20(11-14)19(23)16-8-9-18(22)21(13-16)17-6-4-3-5-7-17/h3-9,13-15H,10-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyLWTKSDRUALUWKW-GJZGRUSLSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds2

About 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one

5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one (PubChem CID 97465061) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one
PubChem CID97465061
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O2/c1-14-10-15(2)12-20(11-14)19(23)16-8-9-18(22)21(13-16)17-6-4-3-5-7-17/h3-9,13-15H,10-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyLWTKSDRUALUWKW-GJZGRUSLSA-N
XLogP2.96
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531
1-phenyl-5-(4-propylsulfonylpiperazine-1-carbonyl)pyridin-2-one
CID 91954866
5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 91955187
ethyl 1-(6-oxo-1-phenylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 91954923
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
[4-(benzenesulfonyl)phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3146246
[4-(benzenesulfonyl)phenyl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 7462212
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
5-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-phenylpyridin-2-one
CID 91946434
N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153825
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one?
The IUPAC name of 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one (CID 97465061) is 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one.
What is the SMILES notation for 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one?
The canonical SMILES for 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one is C[C@H]1C[C@H](C)CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1.
What is the InChIKey of 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one?
The InChIKey is LWTKSDRUALUWKW-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-10-15(2)12-20(11-14)19(23)16-8-9-18(22)21(13-16)17-6-4-3-5-7-17/h3-9,13-15H,10-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one?
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyridin-2-one is sourced from PubChem (CID 97465061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).