3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one

C18H18FNO2 — CID 4094225

IUPAC3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2ccc(F)cc2)o1)N1CCCCC1
InChIInChI=1S/C18H18FNO2/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2
InChIKeyKMDBNLQXQPGUKN-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.11
Rot. Bonds3

About 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one

3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 4094225) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
PubChem CID4094225
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(-c2ccc(F)cc2)o1)N1CCCCC1
InChIInChI=1S/C18H18FNO2/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2
InChIKeyKMDBNLQXQPGUKN-UHFFFAOYSA-N
XLogP4.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(E)-1-(azepan-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 874177
3-[5-(4-fluorophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 3124806
(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 779494
(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
CID 59149603
1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 2873345
3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 91413237
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
4-[5-(2-carboxyethenyl)furan-2-yl]benzoic acid
CID 171146640
3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 4198718
(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 100828766
4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid
CID 28678237

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one (CID 4094225) is 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one is O=C(C=Cc1ccc(-c2ccc(F)cc2)o1)N1CCCCC1.
What is the InChIKey of 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is KMDBNLQXQPGUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2.
What are the key properties of 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 299.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 4094225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).