(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one

C18H20FNO2 — CID 947485

IUPAC(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccc(F)cc1)c1ccco1)N1CCCCC1
InChIInChI=1S/C18H20FNO2/c19-15-8-6-14(7-9-15)16(17-5-4-12-22-17)13-18(21)20-10-2-1-3-11-20/h4-9,12,16H,1-3,10-11,13H2/t16-/m1/s1
InChIKeyDVHYAUZLUWODBK-MRXNPFEDSA-N
MW301.36 g/mol
LogP3.95
Rot. Bonds4

About (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one

(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 947485) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID947485
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccc(F)cc1)c1ccco1)N1CCCCC1
InChIInChI=1S/C18H20FNO2/c19-15-8-6-14(7-9-15)16(17-5-4-12-22-17)13-18(21)20-10-2-1-3-11-20/h4-9,12,16H,1-3,10-11,13H2/t16-/m1/s1
InChIKeyDVHYAUZLUWODBK-MRXNPFEDSA-N
XLogP3.95
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
CID 6935403
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
2-(4-fluorophenyl)-3-(furan-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110312152
1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride
CID 154924466
3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 50954754
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 131932959
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 55657332

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one (CID 947485) is (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one is O=C(C[C@H](c1ccc(F)cc1)c1ccco1)N1CCCCC1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is DVHYAUZLUWODBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-15-8-6-14(7-9-15)16(17-5-4-12-22-17)13-18(21)20-10-2-1-3-11-20/h4-9,12,16H,1-3,10-11,13H2/t16-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one?
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 301.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 947485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).