N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide

C14H18N4O3 — CID 107434210

IUPACN-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C14H18N4O3/c1-18(2)14(21)9-3-5-10(6-4-9)17-13(20)11-7-16-12(19)8-15-11/h3-6,11,15H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJOVHSDSVEZPEMU-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.59
Rot. Bonds3

About N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide

N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107434210) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
PubChem CID107434210
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C14H18N4O3/c1-18(2)14(21)9-3-5-10(6-4-9)17-13(20)11-7-16-12(19)8-15-11/h3-6,11,15H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJOVHSDSVEZPEMU-UHFFFAOYSA-N
XLogP-0.59
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 43702382
(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119684891
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
CID 107435712
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107435761

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide (CID 107434210) is N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide is CN(C)C(=O)c1ccc(NC(=O)C2CNC(=O)CN2)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is JOVHSDSVEZPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-18(2)14(21)9-3-5-10(6-4-9)17-13(20)11-7-16-12(19)8-15-11/h3-6,11,15H,7-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide?
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).