5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

C23H28N4O3 — CID 110246942

IUPAC5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2ccc(=O)n(CC(=O)N3CCCC3)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H28N4O3/c1-24-13-14-27(20(16-24)18-7-3-2-4-8-18)23(30)19-9-10-21(28)26(15-19)17-22(29)25-11-5-6-12-25/h2-4,7-10,15,20H,5-6,11-14,16-17H2,1H3
InChIKeyQXKLBGQNAQZHNP-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.60
Rot. Bonds4

About 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (PubChem CID 110246942) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
PubChem CID110246942
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2ccc(=O)n(CC(=O)N3CCCC3)c2)C(c2ccccc2)C1
InChIInChI=1S/C23H28N4O3/c1-24-13-14-27(20(16-24)18-7-3-2-4-8-18)23(30)19-9-10-21(28)26(15-19)17-22(29)25-11-5-6-12-25/h2-4,7-10,15,20H,5-6,11-14,16-17H2,1H3
InChIKeyQXKLBGQNAQZHNP-UHFFFAOYSA-N
XLogP1.60
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
CID 155962442
3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 92635252
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The IUPAC name of 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (CID 110246942) is 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is CN1CCN(C(=O)c2ccc(=O)n(CC(=O)N3CCCC3)c2)C(c2ccccc2)C1.
What is the InChIKey of 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The InChIKey is QXKLBGQNAQZHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-24-13-14-27(20(16-24)18-7-3-2-4-8-18)23(30)19-9-10-21(28)26(15-19)17-22(29)25-11-5-6-12-25/h2-4,7-10,15,20H,5-6,11-14,16-17H2,1H3.
What are the key properties of 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one has a molecular weight of 408.50 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-phenylpiperazine-1-carbonyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 110246942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).