(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone

C14H16F3N3O — CID 66203787

IUPAC(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H16F3N3O/c15-9-5-11(16)13(12(17)6-9)14(21)20-7-10(8-20)19-3-1-18-2-4-19/h5-6,10,18H,1-4,7-8H2
InChIKeyAZAFTBUDYDTPOU-UHFFFAOYSA-N
MW299.30 g/mol
LogP0.83
Rot. Bonds2

About (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone

(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 66203787) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID66203787
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1c(F)cc(F)cc1F)N1CC(N2CCNCC2)C1
InChIInChI=1S/C14H16F3N3O/c15-9-5-11(16)13(12(17)6-9)14(21)20-7-10(8-20)19-3-1-18-2-4-19/h5-6,10,18H,1-4,7-8H2
InChIKeyAZAFTBUDYDTPOU-UHFFFAOYSA-N
XLogP0.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone (CID 66203787) is (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone is O=C(c1c(F)cc(F)cc1F)N1CC(N2CCNCC2)C1.
What is the InChIKey of (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is AZAFTBUDYDTPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c15-9-5-11(16)13(12(17)6-9)14(21)20-7-10(8-20)19-3-1-18-2-4-19/h5-6,10,18H,1-4,7-8H2.
What are the key properties of (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone?
(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 299.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 66203787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).