N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide

C16H20ClN7O2 — CID 70518412

IUPACN-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClN7O2/c1-22-6-8-23(9-7-22)16(26)19-15-13(14(18)25)20-21-24(15)10-11-4-2-3-5-12(11)17/h2-5H,6-10H2,1H3,(H2,18,25)(H,19,26)
InChIKeyXLGJAYCAWUZGCE-UHFFFAOYSA-N
MW377.84 g/mol
LogP0.86
Rot. Bonds4

About N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide

N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 70518412) has the molecular formula C16H20ClN7O2 and a molecular weight of 377.84 g/mol. Its IUPAC name is N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide
PubChem CID70518412
Molecular FormulaC16H20ClN7O2
Molecular Weight377.84 g/mol
Exact Mass377.14
IUPAC NameN-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClN7O2/c1-22-6-8-23(9-7-22)16(26)19-15-13(14(18)25)20-21-24(15)10-11-4-2-3-5-12(11)17/h2-5H,6-10H2,1H3,(H2,18,25)(H,19,26)
InChIKeyXLGJAYCAWUZGCE-UHFFFAOYSA-N
XLogP0.86
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-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

5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 2815312
1-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carboxylic acid;hydrochloride
CID 70416921
N-(2,6-dichlorophenyl)-4-methylpiperazine-1-carboxamide
CID 108988464
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
1-[(2-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 55029564
ethyl 5-(chloromethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate
CID 103109438
N-(2-chloro-6-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 108896475
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
5-amino-1-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 7386091
4-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107729
1-[(2-chlorophenyl)methyl]-5-methoxy-N-propan-2-yltriazole-4-carboxamide
CID 91938638
5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide
CID 7386108

Frequently Asked Questions

What is the IUPAC name of N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide (CID 70518412) is N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2c(C(N)=O)nnn2Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is XLGJAYCAWUZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN7O2/c1-22-6-8-23(9-7-22)16(26)19-15-13(14(18)25)20-21-24(15)10-11-4-2-3-5-12(11)17/h2-5H,6-10H2,1H3,(H2,18,25)(H,19,26).
What are the key properties of N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide?
N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 70518412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).