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

C16H22N6O — CID 51084694

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccc2)CC1)c1nncn1C
InChIInChI=1S/C16H22N6O/c1-13(15-19-17-12-20(15)2)18-16(23)22-10-8-21(9-11-22)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,23)
InChIKeyWPYZYQMTMIOZQI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.41
Rot. Bonds3

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 51084694) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide
PubChem CID51084694
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccc2)CC1)c1nncn1C
InChIInChI=1S/C16H22N6O/c1-13(15-19-17-12-20(15)2)18-16(23)22-10-8-21(9-11-22)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,23)
InChIKeyWPYZYQMTMIOZQI-UHFFFAOYSA-N
XLogP1.41
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,3-diphenyl-urea
CID 44455144
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-propyl-urea
CID 44455177
3-cyclopentyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455180
3-cyclohexyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455223
1-[3-(5-Cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
CID 138674558
1-[6-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylurea
CID 151737186
3-isopropyl-1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-urea
CID 44455143
1-[3-[5-Cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-3-(4-fluorocyclohexyl)urea
CID 156017541
1-Benzyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 149620060
1-Phenyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 149648210
(4-phenyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24701192
1-[1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-3-phenyl-urea
CID 647359

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide (CID 51084694) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccccc2)CC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is WPYZYQMTMIOZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-13(15-19-17-12-20(15)2)18-16(23)22-10-8-21(9-11-22)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,23).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 51084694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).