2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone

C17H20N4O2 — CID 94942791

IUPAC2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone
SMILESCC(=O)c1nnn(CC(=O)N2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-13(22)16-17(14-8-4-2-5-9-14)21(19-18-16)12-15(23)20-10-6-3-7-11-20/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeySFWKMORYQUYUQV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone

2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 94942791) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID94942791
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone
SMILESCC(=O)c1nnn(CC(=O)N2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-13(22)16-17(14-8-4-2-5-9-14)21(19-18-16)12-15(23)20-10-6-3-7-11-20/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeySFWKMORYQUYUQV-UHFFFAOYSA-N
XLogP2.16
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-5-phenyltriazol-1-yl)acetic acid
CID 82202879
2-(4-acetyl-5-methyltriazol-1-yl)-1-piperidin-1-ylethanone
CID 82202534
1-(1-ethyl-5-phenyltriazol-4-yl)ethanone
CID 82207520
1-[2-(azetidin-1-yl)-2-oxoethyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642392
1-[2-(azepan-1-yl)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62056116
1-[1-(2-methylpropyl)-5-phenyltriazol-4-yl]ethanone
CID 82208841
1-(5-phenyl-1-prop-2-enyltriazol-4-yl)ethanone
CID 82204785
butyl 2-(4-acetyl-5-phenyltriazol-1-yl)acetate
CID 82202839
2-[4,5-bis(3-fluorophenyl)triazol-1-yl]-1-piperidin-1-ylethanone
CID 59363201
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
1-(2-methylprop-2-enyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 82210601
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone (CID 94942791) is 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone is CC(=O)c1nnn(CC(=O)N2CCCCC2)c1-c1ccccc1.
What is the InChIKey of 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is SFWKMORYQUYUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13(22)16-17(14-8-4-2-5-9-14)21(19-18-16)12-15(23)20-10-6-3-7-11-20/h2,4-5,8-9H,3,6-7,10-12H2,1H3.
What are the key properties of 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone?
2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 312.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-5-phenyltriazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 94942791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).