[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C19H25F2N3O — CID 120995939

IUPAC[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(N2CCNCC2)C1)C1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C19H25F2N3O/c20-14-2-3-16(17(21)12-14)19(5-1-6-19)18(25)24-9-4-15(13-24)23-10-7-22-8-11-23/h2-3,12,15,22H,1,4-11,13H2
InChIKeyIGFJXCKFVGPNHQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.89
Rot. Bonds3

About [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120995939) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120995939
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(N1CCC(N2CCNCC2)C1)C1(c2ccc(F)cc2F)CCC1
InChIInChI=1S/C19H25F2N3O/c20-14-2-3-16(17(21)12-14)19(5-1-6-19)18(25)24-9-4-15(13-24)23-10-7-22-8-11-23/h2-3,12,15,22H,1,4-11,13H2
InChIKeyIGFJXCKFVGPNHQ-UHFFFAOYSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120533926
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide
CID 154737138
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997387
[1-(2,6-dichlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995743
(3R,4R)-4-cyclopropyl-1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120977966
2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529406
(4-fluoro-2-nitrophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997859
(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 66203787
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
2-(4-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997837

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120995939) is [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(N1CCC(N2CCNCC2)C1)C1(c2ccc(F)cc2F)CCC1.
What is the InChIKey of [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is IGFJXCKFVGPNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O/c20-14-2-3-16(17(21)12-14)19(5-1-6-19)18(25)24-9-4-15(13-24)23-10-7-22-8-11-23/h2-3,12,15,22H,1,4-11,13H2.
What are the key properties of [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120995939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).