[3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone

C21H28FNO2 — CID 130372590

IUPAC[3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(COc3ccc(F)cc3C3CCCC3)C2)CC1
InChIInChI=1S/C21H28FNO2/c1-21(9-10-21)20(24)23-11-8-15(13-23)14-25-19-7-6-17(22)12-18(19)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,13-14H2,1H3
InChIKeyQYQNVVXTJFBBCU-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.51
Rot. Bonds5

About [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone

[3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 130372590) has the molecular formula C21H28FNO2 and a molecular weight of 345.46 g/mol. Its IUPAC name is [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID130372590
Molecular FormulaC21H28FNO2
Molecular Weight345.46 g/mol
Exact Mass345.21
IUPAC Name[3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(COc3ccc(F)cc3C3CCCC3)C2)CC1
InChIInChI=1S/C21H28FNO2/c1-21(9-10-21)20(24)23-11-8-15(13-23)14-25-19-7-6-17(22)12-18(19)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,13-14H2,1H3
InChIKeyQYQNVVXTJFBBCU-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone with MolForge

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Related Compounds

3-[3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 130297218
ethyl 3-[(3R)-3-[(2-cyclopentylphenoxy)methyl]pyrrolidin-1-yl]-3-oxopropanoate
CID 130297143
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
1-[3-[(2-tert-butyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-2-hydroxy-2-methoxyethanone
CID 126490335
3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine
CID 130297112
tert-butyl 4-[(4-fluoro-2-pyrrolidin-1-ylphenoxy)methyl]piperidine-1-carboxylate
CID 168514807
2-[(3R)-3-[(2-cyclopentylphenoxy)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 175930848
methyl 4-[4-[(2-tert-butyl-4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutanoate
CID 59577152
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 95862503
2-[3-[(2-cyclohexylphenoxy)methyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carboxylic acid
CID 162662460
[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 64598501
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916

Frequently Asked Questions

What is the IUPAC name of [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone (CID 130372590) is [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC(COc3ccc(F)cc3C3CCCC3)C2)CC1.
What is the InChIKey of [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is QYQNVVXTJFBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO2/c1-21(9-10-21)20(24)23-11-8-15(13-23)14-25-19-7-6-17(22)12-18(19)16-4-2-3-5-16/h6-7,12,15-16H,2-5,8-11,13-14H2,1H3.
What are the key properties of [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone?
[3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 345.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-cyclopentyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 130372590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).