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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Related Compounds

1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 56595693
2-(4-Ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 864675
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-3-(2-methoxyphenyl)-1-phenyl-urea
CID 44455034
6-{[cyclohexyl(methyl)amino]methyl}-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 942721
N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide
CID 5308707
1-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 24791105
2-(3-(1H-imidazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)acetamide
CID 44578855
1-(4-cyclopentyloxyphenyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 75400126
N-(4-methoxyphenyl)-N'-phenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 978928
2-[(4-Cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 8245894
2-{4-Ethyl-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(2-methoxy-phenyl)-acetamide
CID 1133053
4-(5-Carbamoylmethylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-piperidine-1-carboxylic acid (2-methoxy-phenyl)-amide
CID 3231962

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).