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

C18H26N6O — CID 53499546

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H26N6O/c1-2-23-15-20-21-17(23)14-19-18(25)24-12-10-22(11-13-24)9-8-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,19,25)
InChIKeyFJXZOAJHBJFAPZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.37
Rot. Bonds6

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 53499546) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID53499546
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H26N6O/c1-2-23-15-20-21-17(23)14-19-18(25)24-12-10-22(11-13-24)9-8-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,19,25)
InChIKeyFJXZOAJHBJFAPZ-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 N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide (CID 53499546) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is FJXZOAJHBJFAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-2-23-15-20-21-17(23)14-19-18(25)24-12-10-22(11-13-24)9-8-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,19,25).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)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 N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53499546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).