1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone

C12H17F2NO2 — CID 58356170

IUPAC1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C12H17F2NO2/c1-8(16)9-2-4-15(5-3-9)11(17)10-6-12(13,14)7-10/h9-10H,2-7H2,1H3
InChIKeyNFWIDJRLONBOLI-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.86
Rot. Bonds2

About 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone

1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone (PubChem CID 58356170) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone
PubChem CID58356170
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C12H17F2NO2/c1-8(16)9-2-4-15(5-3-9)11(17)10-6-12(13,14)7-10/h9-10H,2-7H2,1H3
InChIKeyNFWIDJRLONBOLI-UHFFFAOYSA-N
XLogP1.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclobutyl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45795246
cyclobutyl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 93605285
2,2,2-Trifluoro-1-[1-(2,2,2-trifluoroacetyl)-4-piperidyl]ethanone
CID 45257661
2,2-Difluoro-4-methyl-1-piperidin-1-ylpentan-1-one
CID 57700661
1-(4-Acetylpiperidin-1-yl)-2-fluoroethanone
CID 57741728
1-(4-Acetylpiperidin-1-yl)-2,2-difluoroethanone
CID 57941135
1-(4-Acetylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 57941142
1-(4-Acetylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 57941149
1-(1-Acetyl-4-fluoropiperidin-4-yl)ethanone
CID 58356032
1-[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 58356059
1-[4-(Trifluoromethyl)piperidin-1-yl]butan-1-one
CID 65545999
3,3,3-Trifluoro-1-(4-methylpiperidin-1-yl)propane-1,2-dione
CID 71114233

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone (CID 58356170) is 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C(=O)C2CC(F)(F)C2)CC1.
What is the InChIKey of 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone?
The InChIKey is NFWIDJRLONBOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-8(16)9-2-4-15(5-3-9)11(17)10-6-12(13,14)7-10/h9-10H,2-7H2,1H3.
What are the key properties of 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone?
1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone has a molecular weight of 245.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-difluorocyclobutanecarbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 58356170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).