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

C18H26N6O — CID 71867641

IUPAC4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N6O/c1-2-17-21-20-15-24(17)9-8-19-18(25)23-12-10-22(11-13-23)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,19,25)
InChIKeyGDMCUVMLCOTYQX-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.37
Rot. Bonds6

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

4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide (PubChem CID 71867641) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide
PubChem CID71867641
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N6O/c1-2-17-21-20-15-24(17)9-8-19-18(25)23-12-10-22(11-13-23)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,19,25)
InChIKeyGDMCUVMLCOTYQX-UHFFFAOYSA-N
XLogP1.37
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide (CID 71867641) is 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide is CCc1nncn1CCNC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is GDMCUVMLCOTYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-2-17-21-20-15-24(17)9-8-19-18(25)23-12-10-22(11-13-23)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,19,25).
What are the key properties of 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide?
4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 71867641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).