[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C18H21FN2O3 — CID 132776924

IUPAC[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOC1(COc2ccc(F)cc2)CCN(C(=O)c2cccn2C)C1
InChIInChI=1S/C18H21FN2O3/c1-20-10-3-4-16(20)17(22)21-11-9-18(12-21,23-2)13-24-15-7-5-14(19)6-8-15/h3-8,10H,9,11-13H2,1-2H3
InChIKeyOAOWXGSKRHQZAA-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.47
Rot. Bonds5

About [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 132776924) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID132776924
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCOC1(COc2ccc(F)cc2)CCN(C(=O)c2cccn2C)C1
InChIInChI=1S/C18H21FN2O3/c1-20-10-3-4-16(20)17(22)21-11-9-18(12-21,23-2)13-24-15-7-5-14(19)6-8-15/h3-8,10H,9,11-13H2,1-2H3
InChIKeyOAOWXGSKRHQZAA-UHFFFAOYSA-N
XLogP2.47
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171687669
[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126818993
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
CID 171687664
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
6-[(3S)-3-methoxy-3-(phenoxymethyl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124980363
[3-methoxy-3-(phenoxymethyl)pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 132776385
1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine
CID 155992523
1-[3-[(3-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 132776946
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124990157

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 132776924) is [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is COC1(COc2ccc(F)cc2)CCN(C(=O)c2cccn2C)C1.
What is the InChIKey of [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is OAOWXGSKRHQZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-20-10-3-4-16(20)17(22)21-11-9-18(12-21,23-2)13-24-15-7-5-14(19)6-8-15/h3-8,10H,9,11-13H2,1-2H3.
What are the key properties of [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 332.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 132776924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).