4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide

C15H19ClN6O — CID 132971440

IUPAC4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCn1cnc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C15H19ClN6O/c1-20-11-18-14(19-20)10-17-15(23)22-8-6-21(7-9-22)13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,23)
InChIKeyKEWCILIQKSMJRJ-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.50
Rot. Bonds3

About 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide

4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 132971440) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID132971440
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCn1cnc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C15H19ClN6O/c1-20-11-18-14(19-20)10-17-15(23)22-8-6-21(7-9-22)13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,23)
InChIKeyKEWCILIQKSMJRJ-UHFFFAOYSA-N
XLogP1.50
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
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4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide
CID 60588238
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
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CID 113106629
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045
4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 25348811
N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 60543780
N-[(4-chlorophenyl)methyl]-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107948
4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 119074163
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
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4-(2-chlorophenyl)-N-[2-[(S)-phenylsulfinyl]ethyl]piperazine-1-carboxamide
CID 97016345

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide (CID 132971440) is 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide is Cn1cnc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)n1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is KEWCILIQKSMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-20-11-18-14(19-20)10-17-15(23)22-8-6-21(7-9-22)13-5-3-2-4-12(13)16/h2-5,11H,6-10H2,1H3,(H,17,23).
What are the key properties of 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 132971440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).