ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate

C20H26FNO3 — CID 55345276

IUPACethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1
InChIInChI=1S/C20H26FNO3/c1-2-25-18(23)15-7-6-12-22(14-15)19(24)20(10-3-4-11-20)16-8-5-9-17(21)13-16/h5,8-9,13,15H,2-4,6-7,10-12,14H2,1H3
InChIKeyUJUUPEHULGOMFE-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.44
Rot. Bonds4

About ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate

ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate (PubChem CID 55345276) has the molecular formula C20H26FNO3 and a molecular weight of 347.43 g/mol. Its IUPAC name is ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
PubChem CID55345276
Molecular FormulaC20H26FNO3
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Nameethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1
InChIInChI=1S/C20H26FNO3/c1-2-25-18(23)15-7-6-12-22(14-15)19(24)20(10-3-4-11-20)16-8-5-9-17(21)13-16/h5,8-9,13,15H,2-4,6-7,10-12,14H2,1H3
InChIKeyUJUUPEHULGOMFE-UHFFFAOYSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-[1-(1,3-benzodioxol-5-yl)cyclohexanecarbonyl]piperidine-3-carboxylate
CID 95351106
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone
CID 119593530
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 60557113
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
ethyl (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81345163
ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81344303
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
ethyl 1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 43404470
ethyl (3R)-1-(2,4-difluorobenzoyl)piperidine-3-carboxylate
CID 81338657
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate (CID 55345276) is ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2(c3cccc(F)c3)CCCC2)C1.
What is the InChIKey of ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate?
The InChIKey is UJUUPEHULGOMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO3/c1-2-25-18(23)15-7-6-12-22(14-15)19(24)20(10-3-4-11-20)16-8-5-9-17(21)13-16/h5,8-9,13,15H,2-4,6-7,10-12,14H2,1H3.
What are the key properties of ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate has a molecular weight of 347.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 55345276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).