[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone

C14H17F2N3O — CID 66204072

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H17F2N3O/c15-10-1-2-13(16)12(7-10)14(20)19-5-3-18(4-6-19)11-8-17-9-11/h1-2,7,11,17H,3-6,8-9H2
InChIKeyLUTZVGKWUCJGEN-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.69
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone (PubChem CID 66204072) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
PubChem CID66204072
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)ccc1F)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H17F2N3O/c15-10-1-2-13(16)12(7-10)14(20)19-5-3-18(4-6-19)11-8-17-9-11/h1-2,7,11,17H,3-6,8-9H2
InChIKeyLUTZVGKWUCJGEN-UHFFFAOYSA-N
XLogP0.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015953
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 48868968
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
CID 66202336
[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 66201748
N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 110812430
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
N-[(2,5-difluorophenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]piperazine-1-carboxamide
CID 126422700

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone (CID 66204072) is [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone is O=C(c1cc(F)ccc1F)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone?
The InChIKey is LUTZVGKWUCJGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c15-10-1-2-13(16)12(7-10)14(20)19-5-3-18(4-6-19)11-8-17-9-11/h1-2,7,11,17H,3-6,8-9H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone has a molecular weight of 281.31 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 66204072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).