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

C17H24N6O — CID 53498141

IUPAC4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NC(C)c3nncn3C)CC2)c1
InChIInChI=1S/C17H24N6O/c1-13-5-4-6-15(11-13)22-7-9-23(10-8-22)17(24)19-14(2)16-20-18-12-21(16)3/h4-6,11-12,14H,7-10H2,1-3H3,(H,19,24)
InChIKeyVEOUPUCEIVKKEO-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.72
Rot. Bonds3

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

4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 53498141) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID53498141
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NC(C)c3nncn3C)CC2)c1
InChIInChI=1S/C17H24N6O/c1-13-5-4-6-15(11-13)22-7-9-23(10-8-22)17(24)19-14(2)16-20-18-12-21(16)3/h4-6,11-12,14H,7-10H2,1-3H3,(H,19,24)
InChIKeyVEOUPUCEIVKKEO-UHFFFAOYSA-N
XLogP1.72
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide (CID 53498141) is 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NC(C)c3nncn3C)CC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is VEOUPUCEIVKKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-5-4-6-15(11-13)22-7-9-23(10-8-22)17(24)19-14(2)16-20-18-12-21(16)3/h4-6,11-12,14H,7-10H2,1-3H3,(H,19,24).
What are the key properties of 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?
4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 53498141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).