2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C19H26FNO2 — CID 46213458

IUPAC2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN1CCCC1CCOC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H26FNO2/c1-21-13-4-5-17(21)10-14-23-18(22)19(11-2-3-12-19)15-6-8-16(20)9-7-15/h6-9,17H,2-5,10-14H2,1H3
InChIKeyNPRHOEJKHXDJJM-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.66
Rot. Bonds5

About 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 46213458) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID46213458
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCN1CCCC1CCOC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C19H26FNO2/c1-21-13-4-5-17(21)10-14-23-18(22)19(11-2-3-12-19)15-6-8-16(20)9-7-15/h6-9,17H,2-5,10-14H2,1H3
InChIKeyNPRHOEJKHXDJJM-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 ≤ 103

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Related Compounds

[(2S)-1-methylpyrrolidin-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213516
[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 46213521
[(2S)-1-methylpiperidin-2-yl]methyl 1-(4-chlorophenyl)cyclohexane-1-carboxylate
CID 46213642
[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213520
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709
butyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 112725171
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
[1-(4-fluorophenyl)cyclopropyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427533
methyl 1-[2-[1-(4-fluorophenyl)cyclobutanecarbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55538522
ethyl 1-[2-[1-(4-fluorophenyl)cyclobutanecarbonyl]oxyacetyl]piperidine-4-carboxylate
CID 55533099
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8603218

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 46213458) is 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is CN1CCCC1CCOC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is NPRHOEJKHXDJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-21-13-4-5-17(21)10-14-23-18(22)19(11-2-3-12-19)15-6-8-16(20)9-7-15/h6-9,17H,2-5,10-14H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 319.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)ethyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 46213458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).