2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone

C16H19N3O2 — CID 110871172

IUPAC2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C16H19N3O2/c20-16(13-21-15-5-2-1-3-6-15)18-11-7-14(8-12-18)19-10-4-9-17-19/h1-6,9-10,14H,7-8,11-13H2
InChIKeyBGECATZATMLGKC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.13
Rot. Bonds4

About 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone

2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone (PubChem CID 110871172) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
PubChem CID110871172
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C16H19N3O2/c20-16(13-21-15-5-2-1-3-6-15)18-11-7-14(8-12-18)19-10-4-9-17-19/h1-6,9-10,14H,7-8,11-13H2
InChIKeyBGECATZATMLGKC-UHFFFAOYSA-N
XLogP2.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110866981
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 754225
2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150913
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
2-phenoxy-1-pyrazol-1-ylethanone
CID 3347292
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone (CID 110871172) is 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone is O=C(COc1ccccc1)N1CCC(n2cccn2)CC1.
What is the InChIKey of 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
The InChIKey is BGECATZATMLGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(13-21-15-5-2-1-3-6-15)18-11-7-14(8-12-18)19-10-4-9-17-19/h1-6,9-10,14H,7-8,11-13H2.
What are the key properties of 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone?
2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone has a molecular weight of 285.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110871172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).