(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone

C19H26FNO2 — CID 60557113

IUPAC(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
SMILESCCOC1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C19H26FNO2/c1-2-23-17-8-12-21(13-9-17)18(22)19(10-3-4-11-19)15-6-5-7-16(20)14-15/h5-7,14,17H,2-4,8-13H2,1H3
InChIKeyFCBVBINDBJLUAL-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.66
Rot. Bonds4

About (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone

(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone (PubChem CID 60557113) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
PubChem CID60557113
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
SMILESCCOC1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C19H26FNO2/c1-2-23-17-8-12-21(13-9-17)18(22)19(10-3-4-11-19)15-6-5-7-16(20)14-15/h5-7,14,17H,2-4,8-13H2,1H3
InChIKeyFCBVBINDBJLUAL-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 112836518
ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
CID 55345276
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119662597
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone (CID 60557113) is (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone is CCOC1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone?
The InChIKey is FCBVBINDBJLUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-2-23-17-8-12-21(13-9-17)18(22)19(10-3-4-11-19)15-6-5-7-16(20)14-15/h5-7,14,17H,2-4,8-13H2,1H3.
What are the key properties of (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone?
(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone has a molecular weight of 319.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone is sourced from PubChem (CID 60557113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).