3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one

C18H20N2O2 — CID 110647525

IUPAC3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one
SMILESCC1CCN(C(=O)c2c(-c3ccccc3)cc[nH]c2=O)CC1
InChIInChI=1S/C18H20N2O2/c1-13-8-11-20(12-9-13)18(22)16-15(7-10-19-17(16)21)14-5-3-2-4-6-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,21)
InChIKeyBOXQICYEKZONHM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.91
Rot. Bonds2

About 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one

3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one (PubChem CID 110647525) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one
PubChem CID110647525
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one
SMILESCC1CCN(C(=O)c2c(-c3ccccc3)cc[nH]c2=O)CC1
InChIInChI=1S/C18H20N2O2/c1-13-8-11-20(12-9-13)18(22)16-15(7-10-19-17(16)21)14-5-3-2-4-6-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,21)
InChIKeyBOXQICYEKZONHM-UHFFFAOYSA-N
XLogP2.91
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(4-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 110647524
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 110649182
(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
[3-(2-bromophenyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 170459987
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
CID 46335311
6-methyl-4-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334620
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
(4-methylpiperidin-1-yl)-(6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methanone
CID 50896179
2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide
CID 110649311
5-(4-methylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513810

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one (CID 110647525) is 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one is CC1CCN(C(=O)c2c(-c3ccccc3)cc[nH]c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one?
The InChIKey is BOXQICYEKZONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-8-11-20(12-9-13)18(22)16-15(7-10-19-17(16)21)14-5-3-2-4-6-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one?
3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-4-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 110647525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).