N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide

C13H14N4O2 — CID 107436389

IUPACN-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide
SMILESCN(C(=O)C1CNC(=O)CN1)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N4O2/c1-17(10-4-2-9(6-14)3-5-10)13(19)11-7-16-12(18)8-15-11/h2-5,11,15H,7-8H2,1H3,(H,16,18)
InChIKeyDJKKZTIWPFTMOU-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.39
Rot. Bonds2

About N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide

N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide (PubChem CID 107436389) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide
PubChem CID107436389
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide
SMILESCN(C(=O)C1CNC(=O)CN1)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N4O2/c1-17(10-4-2-9(6-14)3-5-10)13(19)11-7-16-12(18)8-15-11/h2-5,11,15H,7-8H2,1H3,(H,16,18)
InChIKeyDJKKZTIWPFTMOU-UHFFFAOYSA-N
XLogP-0.39
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 49782799
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CID 10296151
(S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile
CID 44400485
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
N-(4-cyanophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 4879932
3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 772589
2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2462073
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2539057
N1-phenyl-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806925
3-(4-Methyl-piperazin-1-yl)-N-m-tolyl-propionamide
CID 2901007
N-(4-cyanophenyl)-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide
CID 3155980
3-(4-Methyl-piperazin-1-yl)-N-p-tolyl-propionamide
CID 23724217

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide (CID 107436389) is N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide is CN(C(=O)C1CNC(=O)CN1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide?
The InChIKey is DJKKZTIWPFTMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17(10-4-2-9(6-14)3-5-10)13(19)11-7-16-12(18)8-15-11/h2-5,11,15H,7-8H2,1H3,(H,16,18).
What are the key properties of N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide?
N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107436389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).