N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide

C12H14ClN3O3 — CID 107621868

IUPACN-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CNC(=O)CN2)ccc1Cl
InChIInChI=1S/C12H14ClN3O3/c1-19-10-4-7(2-3-8(10)13)16-12(18)9-5-15-11(17)6-14-9/h2-4,9,14H,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyPOHHVJFPGYEJBW-UHFFFAOYSA-N
MW283.72 g/mol
LogP0.38
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide

N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107621868) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107621868
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC NameN-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CNC(=O)CN2)ccc1Cl
InChIInChI=1S/C12H14ClN3O3/c1-19-10-4-7(2-3-8(10)13)16-12(18)9-5-15-11(17)6-14-9/h2-4,9,14H,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyPOHHVJFPGYEJBW-UHFFFAOYSA-N
XLogP0.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide
CID 107437353

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide (CID 107621868) is N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide is COc1cc(NC(=O)C2CNC(=O)CN2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is POHHVJFPGYEJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-19-10-4-7(2-3-8(10)13)16-12(18)9-5-15-11(17)6-14-9/h2-4,9,14H,5-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide?
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 283.72 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107621868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).