(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one

C19H18F3NO3 — CID 59149603

IUPAC(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2OC(F)(F)F)o1)N1CCCCC1
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)26-17-7-3-2-6-15(17)16-10-8-14(25-16)9-11-18(24)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-13H2/b11-9+
InChIKeyNCSBEDVSRNJLNY-PKNBQFBNSA-N
MW365.35 g/mol
LogP4.87
Rot. Bonds4

About (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one

(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one (PubChem CID 59149603) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
PubChem CID59149603
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccccc2OC(F)(F)F)o1)N1CCCCC1
InChIInChI=1S/C19H18F3NO3/c20-19(21,22)26-17-7-3-2-6-15(17)16-10-8-14(25-16)9-11-18(24)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-13H2/b11-9+
InChIKeyNCSBEDVSRNJLNY-PKNBQFBNSA-N
XLogP4.87
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 4094225
1-(2,4-dichlorophenyl)-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
CID 2781677
(E)-1-(azepan-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 874177
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 27041698
(E)-1-piperazin-1-yl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 167899122
(E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 132591136
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
(E)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 55616861
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169334326
(E)-3-[10-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]anthracen-9-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 54754331

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one (CID 59149603) is (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccccc2OC(F)(F)F)o1)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one?
The InChIKey is NCSBEDVSRNJLNY-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H18F3NO3/c20-19(21,22)26-17-7-3-2-6-15(17)16-10-8-14(25-16)9-11-18(24)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-13H2/b11-9+.
What are the key properties of (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one?
(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one has a molecular weight of 365.35 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 59149603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).