[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C17H22FNO2 — CID 46213520

IUPAC[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN1CC[C@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C17H22FNO2/c1-19-11-8-15(12-19)21-16(20)17(9-2-3-10-17)13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-12H2,1H3/t15-/m0/s1
InChIKeyWTPIIXUFMYOKGE-HNNXBMFYSA-N
MW291.37 g/mol
LogP2.88
Rot. Bonds3

About [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 46213520) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID46213520
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN1CC[C@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C17H22FNO2/c1-19-11-8-15(12-19)21-16(20)17(9-2-3-10-17)13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-12H2,1H3/t15-/m0/s1
InChIKeyWTPIIXUFMYOKGE-HNNXBMFYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454
(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
CID 23295066
(1-methylpiperidin-4-yl) 1-thiophen-3-ylcyclopentane-1-carboxylate
CID 54351072
2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213458
[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213516
[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
CID 844358
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
cyclohexyl 1-phenylcyclohexane-1-carboxylate
CID 54206862
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
piperidin-4-yl 1-phenylcycloheptane-1-carboxylate
CID 90705729
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate
CID 769252

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 46213520) is [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is CN1CC[C@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)C1.
What is the InChIKey of [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is WTPIIXUFMYOKGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-19-11-8-15(12-19)21-16(20)17(9-2-3-10-17)13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-12H2,1H3/t15-/m0/s1.
What are the key properties of [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 46213520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).