3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

C23H28N4O3 — CID 92635252

IUPAC3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2cccn(CC(=O)N3CCCC3)c2=O)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H28N4O3/c1-24-14-15-27(20(16-24)18-8-3-2-4-9-18)23(30)19-10-7-13-26(22(19)29)17-21(28)25-11-5-6-12-25/h2-4,7-10,13,20H,5-6,11-12,14-17H2,1H3/t20-/m0/s1
InChIKeyWAJQEWIHEJBLAK-FQEVSTJZSA-N
MW408.50 g/mol
LogP1.60
Rot. Bonds4

About 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (PubChem CID 92635252) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
PubChem CID92635252
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESCN1CCN(C(=O)c2cccn(CC(=O)N3CCCC3)c2=O)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H28N4O3/c1-24-14-15-27(20(16-24)18-8-3-2-4-9-18)23(30)19-10-7-13-26(22(19)29)17-21(28)25-11-5-6-12-25/h2-4,7-10,13,20H,5-6,11-12,14-17H2,1H3/t20-/m0/s1
InChIKeyWAJQEWIHEJBLAK-FQEVSTJZSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The IUPAC name of 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (CID 92635252) is 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is CN1CCN(C(=O)c2cccn(CC(=O)N3CCCC3)c2=O)[C@H](c2ccccc2)C1.
What is the InChIKey of 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The InChIKey is WAJQEWIHEJBLAK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-24-14-15-27(20(16-24)18-8-3-2-4-9-18)23(30)19-10-7-13-26(22(19)29)17-21(28)25-11-5-6-12-25/h2-4,7-10,13,20H,5-6,11-12,14-17H2,1H3/t20-/m0/s1.
What are the key properties of 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
3-[(2R)-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 3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 92635252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).