N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide

C14H15N5O2 — CID 107434124

IUPACN-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccccc2-n2ccnc2)CN1
InChIInChI=1S/C14H15N5O2/c20-13-8-16-11(7-17-13)14(21)18-10-3-1-2-4-12(10)19-6-5-15-9-19/h1-6,9,11,16H,7-8H2,(H,17,20)(H,18,21)
InChIKeySEMWPNPNGIKCLG-UHFFFAOYSA-N
MW285.31 g/mol
LogP-0.10
Rot. Bonds3

About N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide

N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434124) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434124
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2ccccc2-n2ccnc2)CN1
InChIInChI=1S/C14H15N5O2/c20-13-8-16-11(7-17-13)14(21)18-10-3-1-2-4-12(10)19-6-5-15-9-19/h1-6,9,11,16H,7-8H2,(H,17,20)(H,18,21)
InChIKeySEMWPNPNGIKCLG-UHFFFAOYSA-N
XLogP-0.10
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-imidazol-1-ylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide (CID 107434124) is N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)Nc2ccccc2-n2ccnc2)CN1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is SEMWPNPNGIKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-13-8-16-11(7-17-13)14(21)18-10-3-1-2-4-12(10)19-6-5-15-9-19/h1-6,9,11,16H,7-8H2,(H,17,20)(H,18,21).
What are the key properties of N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide?
N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).