1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone

C14H15ClFNO2 — CID 23048180

IUPAC1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H15ClFNO2/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
InChIKeyLPGXXILLGWQVLI-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.92
Rot. Bonds2

About 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone

1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone (PubChem CID 23048180) has the molecular formula C14H15ClFNO2 and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
PubChem CID23048180
Molecular FormulaC14H15ClFNO2
Molecular Weight283.73 g/mol
Exact Mass283.08
IUPAC Name1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C14H15ClFNO2/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
InChIKeyLPGXXILLGWQVLI-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 64739429
1-[3-(2,4-difluorobenzoyl)azetidin-1-yl]ethanone
CID 151260037
1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
4-(4-chloro-2-fluorobenzoyl)-N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)piperidine-1-carboxamide
CID 142555755
3-(4-chloro-2-fluorobenzoyl)cyclohexan-1-one
CID 114859315
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
1-[4-[4-(4-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412687
(2S)-2-amino-1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67529877
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone (CID 23048180) is 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone?
The InChIKey is LPGXXILLGWQVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO2/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-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone?
1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone has a molecular weight of 283.73 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-fluorobenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 23048180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).