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

C19H19ClN2O2 — CID 93321800

IUPAC(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1=O
InChIInChI=1S/C19H19ClN2O2/c1-13-7-3-6-10-17(13)22-12-11-21(14(2)18(22)23)19(24)15-8-4-5-9-16(15)20/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyIKUWALDZUCYSKP-AWEZNQCLSA-N
MW342.83 g/mol
LogP3.53
Rot. Bonds2

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

(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one (PubChem CID 93321800) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
PubChem CID93321800
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1=O
InChIInChI=1S/C19H19ClN2O2/c1-13-7-3-6-10-17(13)22-12-11-21(14(2)18(22)23)19(24)15-8-4-5-9-16(15)20/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1
InChIKeyIKUWALDZUCYSKP-AWEZNQCLSA-N
XLogP3.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The IUPAC name of (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one (CID 93321800) is (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one is Cc1ccccc1N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
The InChIKey is IKUWALDZUCYSKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-7-3-6-10-17(13)22-12-11-21(14(2)18(22)23)19(24)15-8-4-5-9-16(15)20/h3-10,14H,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one?
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one has a molecular weight of 342.83 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 93321800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).