[1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone

C19H17F2NO2 — CID 2740740

IUPAC[1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C19H17F2NO2/c20-15-7-4-8-16(21)17(15)19(24)22-11-9-14(10-12-22)18(23)13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyFYVUYCZFLNTZRN-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.70
Rot. Bonds3

About [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone

[1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone (PubChem CID 2740740) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone
PubChem CID2740740
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC Name[1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C19H17F2NO2/c20-15-7-4-8-16(21)17(15)19(24)22-11-9-14(10-12-22)18(23)13-5-2-1-3-6-13/h1-8,14H,9-12H2
InChIKeyFYVUYCZFLNTZRN-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Melperone
CID 15387
Benzoylpiperidine
CID 69892
Lenperone
CID 32593
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dibenzylbenzamide
CID 101312
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone (CID 2740740) is [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is FYVUYCZFLNTZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c20-15-7-4-8-16(21)17(15)19(24)22-11-9-14(10-12-22)18(23)13-5-2-1-3-6-13/h1-8,14H,9-12H2.
What are the key properties of [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone?
[1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 329.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorobenzoyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 2740740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).