(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one

C19H19ClN2O3 — CID 125170757

IUPAC(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccc(-c3ccccc3Cl)c2)[C@@H]1CCO
InChIInChI=1S/C19H19ClN2O3/c20-16-7-2-1-6-15(16)13-4-3-5-14(12-13)19(25)22-10-9-21-18(24)17(22)8-11-23/h1-7,12,17,23H,8-11H2,(H,21,24)/t17-/m1/s1
InChIKeyPRENYDNXNYOGEK-QGZVFWFLSA-N
MW358.83 g/mol
LogP2.33
Rot. Bonds4

About (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one

(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one (PubChem CID 125170757) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
PubChem CID125170757
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2cccc(-c3ccccc3Cl)c2)[C@@H]1CCO
InChIInChI=1S/C19H19ClN2O3/c20-16-7-2-1-6-15(16)13-4-3-5-14(12-13)19(25)22-10-9-21-18(24)17(22)8-11-23/h1-7,12,17,23H,8-11H2,(H,21,24)/t17-/m1/s1
InChIKeyPRENYDNXNYOGEK-QGZVFWFLSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
CID 126437724
(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
CID 29256098
(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
CID 95200368
4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 122565613
2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126436640
2-[1-[3-(2-fluoro-4-hydroxyphenyl)benzoyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 121496108
(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97437593
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
4-(2-methyl-1,3-benzothiazole-6-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 110088239
(3S)-4-(2-methyl-1,3-benzothiazole-6-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 124964453

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The IUPAC name of (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one (CID 125170757) is (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The canonical SMILES for (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one is O=C1NCCN(C(=O)c2cccc(-c3ccccc3Cl)c2)[C@@H]1CCO.
What is the InChIKey of (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The InChIKey is PRENYDNXNYOGEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-16-7-2-1-6-15(16)13-4-3-5-14(12-13)19(25)22-10-9-21-18(24)17(22)8-11-23/h1-7,12,17,23H,8-11H2,(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one?
(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one has a molecular weight of 358.83 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one is sourced from PubChem (CID 125170757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).