N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide

C12H13N5O2 — CID 62489932

IUPACN-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc3n[nH]nc3c2)CN1
InChIInChI=1S/C12H13N5O2/c18-11-4-2-8(6-13-11)14-12(19)7-1-3-9-10(5-7)16-17-15-9/h1,3,5,8H,2,4,6H2,(H,13,18)(H,14,19)(H,15,16,17)
InChIKeyCIZZOYBXMYGQRS-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.03
Rot. Bonds2

About N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide

N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 62489932) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
PubChem CID62489932
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc3n[nH]nc3c2)CN1
InChIInChI=1S/C12H13N5O2/c18-11-4-2-8(6-13-11)14-12(19)7-1-3-9-10(5-7)16-17-15-9/h1,3,5,8H,2,4,6H2,(H,13,18)(H,14,19)(H,15,16,17)
InChIKeyCIZZOYBXMYGQRS-UHFFFAOYSA-N
XLogP-0.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2H-benzotriazole-5-carboxamide;hydrochloride
CID 154910876
4-hydrazinyl-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662542
3-amino-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55246056
3-bromo-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 62492298
4-(N'-hydroxycarbamimidoyl)-N-(6-oxopiperidin-3-yl)benzamide
CID 77004005

Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide (CID 62489932) is N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide is O=C1CCC(NC(=O)c2ccc3n[nH]nc3c2)CN1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is CIZZOYBXMYGQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c18-11-4-2-8(6-13-11)14-12(19)7-1-3-9-10(5-7)16-17-15-9/h1,3,5,8H,2,4,6H2,(H,13,18)(H,14,19)(H,15,16,17).
What are the key properties of N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide?
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 259.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 62489932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).