N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide

C8H12ClN3O2 — CID 107437561

IUPACN-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C8H12ClN3O2/c1-5(9)2-12-8(14)6-3-11-7(13)4-10-6/h6,10H,1-4H2,(H,11,13)(H,12,14)
InChIKeyPGDBXTKMVWZOAM-UHFFFAOYSA-N
MW217.66 g/mol
LogP-1.06
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide

N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107437561) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
PubChem CID107437561
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC NameN-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C8H12ClN3O2/c1-5(9)2-12-8(14)6-3-11-7(13)4-10-6/h6,10H,1-4H2,(H,11,13)(H,12,14)
InChIKeyPGDBXTKMVWZOAM-UHFFFAOYSA-N
XLogP-1.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-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

N-(2-amino-2-oxoethyl)-5-oxopiperazine-2-carboxamide
CID 107433351
N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
CID 115636687
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-(6-hydroxyhexyl)-5-oxopiperazine-2-carboxamide
CID 107842610
N-[2-(2-methoxyethoxy)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436155
N-[(3-hydroxycyclopentyl)methyl]-5-oxopiperazine-2-carboxamide
CID 106134338
N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide
CID 106398179
N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701
(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride
CID 131107148
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
CID 107437023
N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide
CID 74876403
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 114137130

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide (CID 107437561) is N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide is C=C(Cl)CNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is PGDBXTKMVWZOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-5(9)2-12-8(14)6-3-11-7(13)4-10-6/h6,10H,1-4H2,(H,11,13)(H,12,14).
What are the key properties of N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide?
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 217.66 g/mol, XLogP of -1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107437561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).