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

C17H24N6O — CID 51084744

IUPAC4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N6O/c1-2-22-14-19-20-16(22)12-18-17(24)23-10-8-21(9-11-23)13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,24)
InChIKeyQNYLXHSZIZEUHA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.33
Rot. Bonds5

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

4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 51084744) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID51084744
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N6O/c1-2-22-14-19-20-16(22)12-18-17(24)23-10-8-21(9-11-23)13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,24)
InChIKeyQNYLXHSZIZEUHA-UHFFFAOYSA-N
XLogP1.33
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide (CID 51084744) is 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is QNYLXHSZIZEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-22-14-19-20-16(22)12-18-17(24)23-10-8-21(9-11-23)13-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,24).
What are the key properties of 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide?
4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 51084744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).