(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one

C14H17ClN2O3 — CID 29256098

IUPAC(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
SMILESCc1cccc(C(=O)N2CCNC(=O)[C@H]2CCO)c1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(12(9)15)14(20)17-7-6-16-13(19)11(17)5-8-18/h2-4,11,18H,5-8H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyAWQIZYKWERDEMW-LLVKDONJSA-N
MW296.75 g/mol
LogP0.97
Rot. Bonds3

About (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one

(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one (PubChem CID 29256098) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
PubChem CID29256098
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
SMILESCc1cccc(C(=O)N2CCNC(=O)[C@H]2CCO)c1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(12(9)15)14(20)17-7-6-16-13(19)11(17)5-8-18/h2-4,11,18H,5-8H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyAWQIZYKWERDEMW-LLVKDONJSA-N
XLogP0.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97437593
(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
CID 95200368
(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 125170757
4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657157
(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
CID 126437724
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126439930
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
pentyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073625
3-ethyl-4-[2-(methylamino)benzoyl]piperazin-2-one
CID 63604913
4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 122565613

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one?
The IUPAC name of (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one (CID 29256098) is (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one?
The canonical SMILES for (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one is Cc1cccc(C(=O)N2CCNC(=O)[C@H]2CCO)c1Cl.
What is the InChIKey of (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one?
The InChIKey is AWQIZYKWERDEMW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-3-2-4-10(12(9)15)14(20)17-7-6-16-13(19)11(17)5-8-18/h2-4,11,18H,5-8H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one?
(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one has a molecular weight of 296.75 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one is sourced from PubChem (CID 29256098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).