(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one

C18H20ClN3O — CID 96577739

IUPAC(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)n1
InChIInChI=1S/C18H20ClN3O/c1-13-5-3-7-16(20-13)11-21-12-18(23)22(10-14(21)2)17-8-4-6-15(19)9-17/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
InChIKeyYDKUHTHRGXQARZ-AWEZNQCLSA-N
MW329.83 g/mol
LogP3.28
Rot. Bonds3

About (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one

(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one (PubChem CID 96577739) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
PubChem CID96577739
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)n1
InChIInChI=1S/C18H20ClN3O/c1-13-5-3-7-16(20-13)11-21-12-18(23)22(10-14(21)2)17-8-4-6-15(19)9-17/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1
InChIKeyYDKUHTHRGXQARZ-AWEZNQCLSA-N
XLogP3.28
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-1-(3-chlorophenyl)-5-methyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-2-one
CID 96574429
1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
CID 70709682
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
(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 97110267
(5S)-4-[(2,6-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578307
1-(3-chlorophenyl)-5-methyl-4-(5-propan-2-ylpyrazolidine-3-carbonyl)piperazin-2-one
CID 134063969
(5R)-5-methyl-1-(4-methylphenyl)-4-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 97120646
1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
CID 70735507
(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96576993
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
CID 70719490

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one?
The IUPAC name of (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one (CID 96577739) is (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one.
What is the SMILES notation for (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one?
The canonical SMILES for (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one is Cc1cccc(CN2CC(=O)N(c3cccc(Cl)c3)C[C@@H]2C)n1.
What is the InChIKey of (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one?
The InChIKey is YDKUHTHRGXQARZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-13-5-3-7-16(20-13)11-21-12-18(23)22(10-14(21)2)17-8-4-6-15(19)9-17/h3-9,14H,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one?
(5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one has a molecular weight of 329.83 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3-chlorophenyl)-5-methyl-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one is sourced from PubChem (CID 96577739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).