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

C17H24N6O2 — CID 53499159

IUPAC4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NC(C)c2nncn2C)CC1
InChIInChI=1S/C17H24N6O2/c1-13(16-20-18-12-21(16)2)19-17(24)23-10-8-22(9-11-23)14-6-4-5-7-15(14)25-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)
InChIKeyRMIYGXCSMFOMKT-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.42
Rot. Bonds4

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

4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 53499159) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID53499159
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)NC(C)c2nncn2C)CC1
InChIInChI=1S/C17H24N6O2/c1-13(16-20-18-12-21(16)2)19-17(24)23-10-8-22(9-11-23)14-6-4-5-7-15(14)25-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)
InChIKeyRMIYGXCSMFOMKT-UHFFFAOYSA-N
XLogP1.42
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide (CID 53499159) is 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)NC(C)c2nncn2C)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is RMIYGXCSMFOMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13(16-20-18-12-21(16)2)19-17(24)23-10-8-22(9-11-23)14-6-4-5-7-15(14)25-3/h4-7,12-13H,8-11H2,1-3H3,(H,19,24).
What are the key properties of 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide?
4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 53499159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).