1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone

C17H22N4O2 — CID 111538179

IUPAC1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESCCn1cnnc1C1CCCN(C(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c1-2-20-12-18-19-16(20)14-9-6-10-21(11-14)17(23)15(22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,22H,2,6,9-11H2,1H3
InChIKeyMSFURRWBPZNDDT-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.74
Rot. Bonds4

About 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone

1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone (PubChem CID 111538179) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
PubChem CID111538179
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESCCn1cnnc1C1CCCN(C(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c1-2-20-12-18-19-16(20)14-9-6-10-21(11-14)17(23)15(22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,22H,2,6,9-11H2,1H3
InChIKeyMSFURRWBPZNDDT-UHFFFAOYSA-N
XLogP1.74
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-phenyl-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 110881752
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75443272
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
1-[(3R)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,2-difluoro-2-(3-methyl-2-pyridinyl)ethanone
CID 124627547
(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
2-[[4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione
CID 86935419
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-[(R)-methylsulfinyl]phenyl]piperidine-1-carboxamide
CID 97334567
6-cyclopropyl-3-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563629
(3R)-1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 97060329
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110913240
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone (CID 111538179) is 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone is CCn1cnnc1C1CCCN(C(=O)C(O)c2ccccc2)C1.
What is the InChIKey of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is MSFURRWBPZNDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-20-12-18-19-16(20)14-9-6-10-21(11-14)17(23)15(22)13-7-4-3-5-8-13/h3-5,7-8,12,14-15,22H,2,6,9-11H2,1H3.
What are the key properties of 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 314.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 111538179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).