(5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one

C21H21ClN4O — CID 96574429

IUPAC(5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one
SMILESCc1nc2ccccc2nc1CN1CC(=O)N(c2cccc(Cl)c2)C[C@H]1C
InChIInChI=1S/C21H21ClN4O/c1-14-11-26(17-7-5-6-16(22)10-17)21(27)13-25(14)12-20-15(2)23-18-8-3-4-9-19(18)24-20/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyLIHQVNAGWPOFAM-CQSZACIVSA-N
MW380.88 g/mol
LogP3.83
Rot. Bonds3

About (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one

(5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one (PubChem CID 96574429) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one
PubChem CID96574429
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name(5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one
SMILESCc1nc2ccccc2nc1CN1CC(=O)N(c2cccc(Cl)c2)C[C@H]1C
InChIInChI=1S/C21H21ClN4O/c1-14-11-26(17-7-5-6-16(22)10-17)21(27)13-25(14)12-20-15(2)23-18-8-3-4-9-19(18)24-20/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyLIHQVNAGWPOFAM-CQSZACIVSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
CID 96577739
1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
CID 70709682
4-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 18889226
1-(3-chlorophenyl)-4-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889228
2-[4-(3-chlorophenyl)-2-methyl-5-oxopiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 70719179
(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
CID 96576956
(4S)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 40698833
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
1-(3-chlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004120
(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 97110267
1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
CID 70735507
1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one
CID 70706283

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one?
The IUPAC name of (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one (CID 96574429) is (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one is Cc1nc2ccccc2nc1CN1CC(=O)N(c2cccc(Cl)c2)C[C@H]1C.
What is the InChIKey of (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one?
The InChIKey is LIHQVNAGWPOFAM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-14-11-26(17-7-5-6-16(22)10-17)21(27)13-25(14)12-20-15(2)23-18-8-3-4-9-19(18)24-20/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one?
(5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one has a molecular weight of 380.88 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 96574429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).