(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide

C17H23N3O4 — CID 97445979

IUPAC(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1CCO
InChIInChI=1S/C17H23N3O4/c1-12(2)11-24-15-6-4-3-5-13(15)19-17(23)20-9-8-18-16(22)14(20)7-10-21/h3-6,14,21H,1,7-11H2,2H3,(H,18,22)(H,19,23)/t14-/m0/s1
InChIKeyZEBFKFLJZSWTDY-AWEZNQCLSA-N
MW333.39 g/mol
LogP1.36
Rot. Bonds6

About (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide

(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide (PubChem CID 97445979) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide
PubChem CID97445979
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1CCO
InChIInChI=1S/C17H23N3O4/c1-12(2)11-24-15-6-4-3-5-13(15)19-17(23)20-9-8-18-16(22)14(20)7-10-21/h3-6,14,21H,1,7-11H2,2H3,(H,18,22)(H,19,23)/t14-/m0/s1
InChIKeyZEBFKFLJZSWTDY-AWEZNQCLSA-N
XLogP1.36
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 125159496
(2S)-2-benzyl-N-[2-(2-methylpropoxy)phenyl]-3-oxopiperazine-1-carboxamide
CID 97444169
(3S)-3-(dimethylamino)-N-[2-(2-methylprop-2-enoxy)phenyl]pyrrolidine-1-carboxamide
CID 97438370
(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97437593
(2R)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97453373
(2S)-N-[4-(furan-2-ylmethoxy)phenyl]-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97453372
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
CID 97455589
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
CID 656047
(2S)-N-(3,4-dichlorophenyl)-2-[2-(2-methoxyanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 2014037
methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide (CID 97445979) is (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide is C=C(C)COc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1CCO.
What is the InChIKey of (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is ZEBFKFLJZSWTDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(2)11-24-15-6-4-3-5-13(15)19-17(23)20-9-8-18-16(22)14(20)7-10-21/h3-6,14,21H,1,7-11H2,2H3,(H,18,22)(H,19,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide?
(2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxyethyl)-N-[2-(2-methylprop-2-enoxy)phenyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 97445979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).