1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

C15H18N4O — CID 110194775

IUPAC1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4O/c1-11(20)19-10-6-5-9-13(19)15-16-14(17-18-15)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17,18)
InChIKeyYXBFCKSIHMTLOH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.55
Rot. Bonds2

About 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 110194775) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
PubChem CID110194775
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4O/c1-11(20)19-10-6-5-9-13(19)15-16-14(17-18-15)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17,18)
InChIKeyYXBFCKSIHMTLOH-UHFFFAOYSA-N
XLogP2.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 4247733
N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 32460731
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 66674351
1-(2-methylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 16030112
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]acetamide
CID 44564835
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]-2-methyl-propanamide
CID 44564887
1-(2-Methylcyclohexyl)-3-[3-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)propyl]urea
CID 135368471
N-cyclohexyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2224760
1-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperidine
CID 767935
1-(2-Ethylpiperidin-1-YL)-2-[(5-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl]ethan-1-one
CID 16030114
2-{[5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-1-(4-methylpiperidin-1-YL)ethan-1-one
CID 16030256
N-(4-phenylbutan-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4539323

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone (CID 110194775) is 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is YXBFCKSIHMTLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11(20)19-10-6-5-9-13(19)15-16-14(17-18-15)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17,18).
What are the key properties of 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone?
1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 270.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110194775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).