2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone

C17H22FNO2 — CID 53008510

IUPAC2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C17H22FNO2/c18-15-7-3-6-14(8-15)12-21-16-10-19(11-16)17(20)9-13-4-1-2-5-13/h3,6-8,13,16H,1-2,4-5,9-12H2
InChIKeyBJWDMPYNDQCIJX-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.13
Rot. Bonds5

About 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone

2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone (PubChem CID 53008510) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone
PubChem CID53008510
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C17H22FNO2/c18-15-7-3-6-14(8-15)12-21-16-10-19(11-16)17(20)9-13-4-1-2-5-13/h3,6-8,13,16H,1-2,4-5,9-12H2
InChIKeyBJWDMPYNDQCIJX-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone
CID 53008491
Cyclobutyl-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]methanone
CID 53037945
2-Cyclopentyl-1-[4-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
CID 53150601
N-(2-ethylphenyl)-4-piperidin-1-yl[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53150611
N-(4-methoxyphenyl)-4-[5-(morpholin-4-ylcarbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53150645
2-Cyclopentyl-1-(4-{2-[(2-fluorobenzyl)oxy]ethyl}piperidino)-1-ethanone
CID 53150662
1-[2-(4-Fluorophenyl)morpholine-4-carbonyl]cyclopentane-1-carbonitrile
CID 56811858
1-Cyclopentyl-5-({3-[(2-fluorobenzyl)oxy]-1-azetidinyl}carbonyl)-2-piperidinone
CID 72845051
cyclopentyl[(R)-2-[p-(trifluoromethyl)phenyl]-4-morpholinyl]methanone
CID 95366900
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]cyclopentanecarboxamide
CID 97553339
2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone
CID 134842569
N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide
CID 134842682

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone (CID 53008510) is 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone is O=C(CC1CCCC1)N1CC(OCc2cccc(F)c2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone?
The InChIKey is BJWDMPYNDQCIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-15-7-3-6-14(8-15)12-21-16-10-19(11-16)17(20)9-13-4-1-2-5-13/h3,6-8,13,16H,1-2,4-5,9-12H2.
What are the key properties of 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone?
2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone has a molecular weight of 291.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 53008510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).