1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea

C17H22N6O2 — CID 154786654

IUPAC1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea
SMILESCCN1CCCC(NC(=O)Nc2nc(C)n(-c3ccccc3)n2)C1=O
InChIInChI=1S/C17H22N6O2/c1-3-22-11-7-10-14(15(22)24)19-17(25)20-16-18-12(2)23(21-16)13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3,(H2,19,20,21,25)
InChIKeyPZHAHIHDXQMAKM-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.71
Rot. Bonds4

About 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea

1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea (PubChem CID 154786654) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea
PubChem CID154786654
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea
SMILESCCN1CCCC(NC(=O)Nc2nc(C)n(-c3ccccc3)n2)C1=O
InChIInChI=1S/C17H22N6O2/c1-3-22-11-7-10-14(15(22)24)19-17(25)20-16-18-12(2)23(21-16)13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3,(H2,19,20,21,25)
InChIKeyPZHAHIHDXQMAKM-UHFFFAOYSA-N
XLogP1.71
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea with MolForge

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Related Compounds

N-(1-ethyl-2-oxoazepan-3-yl)-2-phenylmethoxyacetamide
CID 53488379
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CID 126841142
1-cyclopropyl-N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155959489
1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea
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CID 119787596
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1S,2R)-2-phenylcyclohexyl]urea
CID 164636865
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide
CID 128532338
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 136518534

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea (CID 154786654) is 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea is CCN1CCCC(NC(=O)Nc2nc(C)n(-c3ccccc3)n2)C1=O.
What is the InChIKey of 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea?
The InChIKey is PZHAHIHDXQMAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-3-22-11-7-10-14(15(22)24)19-17(25)20-16-18-12(2)23(21-16)13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3,(H2,19,20,21,25).
What are the key properties of 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea?
1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea has a molecular weight of 342.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-oxopiperidin-3-yl)-3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 154786654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).