6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one

C18H21N3O2 — CID 95976202

IUPAC6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-13-8-9-15(17(22)19-13)18(23)21-11-10-20(2)12-16(21)14-6-4-3-5-7-14/h3-9,16H,10-12H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyILSSTSDWZQHJDW-MRXNPFEDSA-N
MW311.39 g/mol
LogP1.81
Rot. Bonds2

About 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95976202) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID95976202
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-13-8-9-15(17(22)19-13)18(23)21-11-10-20(2)12-16(21)14-6-4-3-5-7-14/h3-9,16H,10-12H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyILSSTSDWZQHJDW-MRXNPFEDSA-N
XLogP1.81
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 86768761
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 167526074
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 37332382
(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72920798
(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 112802623
3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 92635252
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-pyrrolidin-1-ylbenzonitrile
CID 167526111

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one (CID 95976202) is 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ILSSTSDWZQHJDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-8-9-15(17(22)19-13)18(23)21-11-10-20(2)12-16(21)14-6-4-3-5-7-14/h3-9,16H,10-12H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 311.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95976202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).