3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

C18H19F3N2O2 — CID 71523535

IUPAC3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)14-3-5-15(6-4-14)22-9-11-23(12-10-22)17(24)8-7-16-2-1-13-25-16/h1-6,13H,7-12H2
InChIKeyPLLWSYVTCQJUFH-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.58
Rot. Bonds4

About 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 71523535) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID71523535
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)14-3-5-15(6-4-14)22-9-11-23(12-10-22)17(24)8-7-16-2-1-13-25-16/h1-6,13H,7-12H2
InChIKeyPLLWSYVTCQJUFH-UHFFFAOYSA-N
XLogP3.58
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-Methylfuran-3-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409089
(E)-3-(furan-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 963834
(2,5-Dimethylfuran-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 7661798
N-(4-fluorophenyl)-1-(2-methyl-3-furoyl)-3-piperidinamine
CID 24817365
3-[4-(Furan-2-carbonyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2950507
4-(3,5-Difluorobenzoyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
CID 15987451
4-(2,4-Difluorobenzoyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
CID 15987452
1-(3-Furylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 750989
1-{3-Fluoro-4-[4-(2-furoyl)-1-piperazinyl]phenyl}ethanone
CID 975414
N-[4-(4-benzoyl-1-piperazinyl)phenyl]-3-(2-furyl)acrylamide
CID 2283010
(2,5-Dimethylfuran-3-yl)(4-phenylpiperazin-1-yl)methanone
CID 2366104
1-{3-Fluoro-4-[4-(2-furoyl)-3-methyl-1-piperazinyl]phenyl}ethanone
CID 2938357

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (CID 71523535) is 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is O=C(CCc1ccco1)N1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is PLLWSYVTCQJUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)14-3-5-15(6-4-14)22-9-11-23(12-10-22)17(24)8-7-16-2-1-13-25-16/h1-6,13H,7-12H2.
What are the key properties of 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 352.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71523535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).