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

C13H14N4O3 — CID 107435712

IUPACN-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
SMILESN#CCOc1ccc(NC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C13H14N4O3/c14-5-6-20-10-3-1-9(2-4-10)17-13(19)11-7-16-12(18)8-15-11/h1-4,11,15H,6-8H2,(H,16,18)(H,17,19)
InChIKeyVYFWFZQNZXAZNX-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.38
Rot. Bonds4

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

N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435712) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435712
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide
SMILESN#CCOc1ccc(NC(=O)C2CNC(=O)CN2)cc1
InChIInChI=1S/C13H14N4O3/c14-5-6-20-10-3-1-9(2-4-10)17-13(19)11-7-16-12(18)8-15-11/h1-4,11,15H,6-8H2,(H,16,18)(H,17,19)
InChIKeyVYFWFZQNZXAZNX-UHFFFAOYSA-N
XLogP-0.38
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-[4-(cyanomethoxy)phenyl]azepane-2-carboxamide
CID 64564416
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64610182
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107436239
3-[[4-(cyanomethoxy)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 56809692

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide (CID 107435712) is N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide is N#CCOc1ccc(NC(=O)C2CNC(=O)CN2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is VYFWFZQNZXAZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-5-6-20-10-3-1-9(2-4-10)17-13(19)11-7-16-12(18)8-15-11/h1-4,11,15H,6-8H2,(H,16,18)(H,17,19).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide?
N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).