(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one

C20H21ClN2O3 — CID 97135197

IUPAC(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3C)[C@@H](C)C2=O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13-4-5-15(21)12-18(13)20(25)22-10-11-23(19(24)14(22)2)16-6-8-17(26-3)9-7-16/h4-9,12,14H,10-11H2,1-3H3/t14-/m0/s1
InChIKeySYIHWXPXNZQHCY-AWEZNQCLSA-N
MW372.85 g/mol
LogP3.53
Rot. Bonds3

About (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one

(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 97135197) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID97135197
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3C)[C@@H](C)C2=O)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13-4-5-15(21)12-18(13)20(25)22-10-11-23(19(24)14(22)2)16-6-8-17(26-3)9-7-16/h4-9,12,14H,10-11H2,1-3H3/t14-/m0/s1
InChIKeySYIHWXPXNZQHCY-AWEZNQCLSA-N
XLogP3.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93321473
(3S)-4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322966
4-(2,4-dichlorobenzoyl)-1-(2,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 46036434
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
(3R)-4-(2,4-dichlorobenzoyl)-1-(3,5-dimethylphenyl)-3-methylpiperazin-2-one
CID 93322771
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one (CID 97135197) is (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one is COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3C)[C@@H](C)C2=O)cc1.
What is the InChIKey of (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is SYIHWXPXNZQHCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-4-5-15(21)12-18(13)20(25)22-10-11-23(19(24)14(22)2)16-6-8-17(26-3)9-7-16/h4-9,12,14H,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one?
(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 372.85 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 97135197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).