(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one

C19H18Cl2N2O2 — CID 93322176

IUPAC(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-12-5-3-4-6-17(12)23-10-9-22(13(2)18(23)24)19(25)14-7-8-15(20)16(21)11-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m0/s1
InChIKeyKZHKNWPRJGMMKP-ZDUSSCGKSA-N
MW377.27 g/mol
LogP4.18
Rot. Bonds2

About (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one

(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 93322176) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID93322176
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-12-5-3-4-6-17(12)23-10-9-22(13(2)18(23)24)19(25)14-7-8-15(20)16(21)11-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m0/s1
InChIKeyKZHKNWPRJGMMKP-ZDUSSCGKSA-N
XLogP4.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 46036538
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
(3S)-3-methyl-1-(2-methylphenyl)-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322052
(3R)-4-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322535
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917
(3S)-4-(3,4-dichlorobenzoyl)-1-(3,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322542
(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93322313
4-(1,3-benzodioxole-5-carbonyl)-1-(2-chlorophenyl)-3-methylpiperazin-2-one
CID 46036244
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 24715884
(3R)-1-(5-chloro-2-methylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322209
(3R)-1-(2-fluorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321676

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one (CID 93322176) is (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is KZHKNWPRJGMMKP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-12-5-3-4-6-17(12)23-10-9-22(13(2)18(23)24)19(25)14-7-8-15(20)16(21)11-14/h3-8,11,13H,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
(3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 377.27 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 93322176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).