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

C14H15F2NO2 — CID 2740707

IUPAC1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H15F2NO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3
InChIKeyUGPWQEIGJWVJDR-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.41
Rot. Bonds2

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

1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone (PubChem CID 2740707) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone
PubChem CID2740707
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H15F2NO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3
InChIKeyUGPWQEIGJWVJDR-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone (CID 2740707) is 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone?
The InChIKey is UGPWQEIGJWVJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone?
1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone has a molecular weight of 267.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 2740707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).