[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C20H27FN2O — CID 71938226

IUPAC[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(N2CCCC2)CC1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C20H27FN2O/c21-17-6-3-5-16(15-17)20(9-4-10-20)19(24)23-13-7-18(8-14-23)22-11-1-2-12-22/h3,5-6,15,18H,1-2,4,7-14H2
InChIKeyXMJSPCOJKGVQOK-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.33
Rot. Bonds3

About [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 71938226) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID71938226
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(N1CCC(N2CCCC2)CC1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C20H27FN2O/c21-17-6-3-5-16(15-17)20(9-4-10-20)19(24)23-13-7-18(8-14-23)22-11-1-2-12-22/h3,5-6,15,18H,1-2,4,7-14H2
InChIKeyXMJSPCOJKGVQOK-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 112836518
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 60557113
[1-(3-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561853
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-bromophenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 56684688

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 71938226) is [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(N1CCC(N2CCCC2)CC1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is XMJSPCOJKGVQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c21-17-6-3-5-16(15-17)20(9-4-10-20)19(24)23-13-7-18(8-14-23)22-11-1-2-12-22/h3,5-6,15,18H,1-2,4,7-14H2.
What are the key properties of [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 330.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71938226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).