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

C17H24N6O — CID 95126723

IUPAC(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C17H24N6O/c1-3-22-13-19-20-16(22)11-18-17(24)23-10-9-21(2)12-15(23)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,18,24)/t15-/m0/s1
InChIKeyUZGBZXSQBMAWED-HNNXBMFYSA-N
MW328.42 g/mol
LogP1.50
Rot. Bonds4

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

(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide (PubChem CID 95126723) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
PubChem CID95126723
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(C)C[C@H]1c1ccccc1
InChIInChI=1S/C17H24N6O/c1-3-22-13-19-20-16(22)11-18-17(24)23-10-9-21(2)12-15(23)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,18,24)/t15-/m0/s1
InChIKeyUZGBZXSQBMAWED-HNNXBMFYSA-N
XLogP1.50
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpiperazine-1-carboxamide
CID 97312001
4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 127324357
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
CID 136577422
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94120134
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 96997622
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
(2S,5S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methyl-2-(2-methylphenyl)morpholine-4-carboxamide
CID 96566156
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71895452

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The IUPAC name of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide (CID 95126723) is (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(C)C[C@H]1c1ccccc1.
What is the InChIKey of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
The InChIKey is UZGBZXSQBMAWED-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-22-13-19-20-16(22)11-18-17(24)23-10-9-21(2)12-15(23)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,18,24)/t15-/m0/s1.
What are the key properties of (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide?
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 95126723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).