N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide

C13H15Cl2N3O2 — CID 107433640

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-7(9-3-2-8(14)4-10(9)15)18-13(20)11-5-17-12(19)6-16-11/h2-4,7,11,16H,5-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyLFVZOVJTNCEAHC-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.26
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107433640) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
PubChem CID107433640
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
SMILESCC(NC(=O)C1CNC(=O)CN1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-7(9-3-2-8(14)4-10(9)15)18-13(20)11-5-17-12(19)6-16-11/h2-4,7,11,16H,5-6H2,1H3,(H,17,19)(H,18,20)
InChIKeyLFVZOVJTNCEAHC-UHFFFAOYSA-N
XLogP1.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
N-[1-(2,4-dichlorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683877
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437231
2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 116674633
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]piperazine-2-carboxamide
CID 114158960
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 132837563
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436715
1-cyclopropyl-3-[(1R)-1-(2,4-dichlorophenyl)ethyl]urea
CID 29023001
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide (CID 107433640) is N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide is CC(NC(=O)C1CNC(=O)CN1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is LFVZOVJTNCEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-7(9-3-2-8(14)4-10(9)15)18-13(20)11-5-17-12(19)6-16-11/h2-4,7,11,16H,5-6H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107433640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).