(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide

C15H20ClN3O3 — CID 97437593

IUPAC(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(Cl)c(C)c1NC(=O)N1CCNC(=O)[C@H]1CCO
InChIInChI=1S/C15H20ClN3O3/c1-9-3-4-11(16)10(2)13(9)18-15(22)19-7-6-17-14(21)12(19)5-8-20/h3-4,12,20H,5-8H2,1-2H3,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeyJZQUSKXJRNKBHR-GFCCVEGCSA-N
MW325.80 g/mol
LogP1.67
Rot. Bonds3

About (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide

(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide (PubChem CID 97437593) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
PubChem CID97437593
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(Cl)c(C)c1NC(=O)N1CCNC(=O)[C@H]1CCO
InChIInChI=1S/C15H20ClN3O3/c1-9-3-4-11(16)10(2)13(9)18-15(22)19-7-6-17-14(21)12(19)5-8-20/h3-4,12,20H,5-8H2,1-2H3,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeyJZQUSKXJRNKBHR-GFCCVEGCSA-N
XLogP1.67
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-oxopiperazine-1-carboxamide
CID 126439930
(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97445979
(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 125170757
4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 122565613
4-(2-chloro-5-sulfanylbenzoyl)-3-ethylpiperazin-2-one
CID 107029813
(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
CID 126437724
(2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97453372
(2R)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97453373
4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
(3R)-3-(2-hydroxyethyl)-4-[1-(4-methylanilino)cyclopentanecarbonyl]piperazin-2-one
CID 95207573

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide (CID 97437593) is (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide is Cc1ccc(Cl)c(C)c1NC(=O)N1CCNC(=O)[C@H]1CCO.
What is the InChIKey of (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is JZQUSKXJRNKBHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-9-3-4-11(16)10(2)13(9)18-15(22)19-7-6-17-14(21)12(19)5-8-20/h3-4,12,20H,5-8H2,1-2H3,(H,17,21)(H,18,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide?
(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 97437593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).