3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one

C23H24N2O2 — CID 50954754

IUPAC3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccco1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C23H24N2O2/c26-23(25-14-10-19(11-15-25)18-8-12-24-13-9-18)17-21(22-7-4-16-27-22)20-5-2-1-3-6-20/h1-9,12-13,16,19,21H,10-11,14-15,17H2
InChIKeyZDFRBRONKOABCT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.60
Rot. Bonds5

About 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one

3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 50954754) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID50954754
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccco1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C23H24N2O2/c26-23(25-14-10-19(11-15-25)18-8-12-24-13-9-18)17-21(22-7-4-16-27-22)20-5-2-1-3-6-20/h1-9,12-13,16,19,21H,10-11,14-15,17H2
InChIKeyZDFRBRONKOABCT-UHFFFAOYSA-N
XLogP4.60
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one
CID 131948781
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
1-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-(furan-2-yl)-3-phenylpropan-1-one;hydrochloride
CID 154924466
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 947485
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 6546229
8-[3-(furan-2-yl)-3-phenylpropanoyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 131932959
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
3-benzylsulfanyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 91839545
4-phenylmethoxy-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 91772094
3,3-diphenyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90617358
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 103155063

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one (CID 50954754) is 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one is O=C(CC(c1ccccc1)c1ccco1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is ZDFRBRONKOABCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(25-14-10-19(11-15-25)18-8-12-24-13-9-18)17-21(22-7-4-16-27-22)20-5-2-1-3-6-20/h1-9,12-13,16,19,21H,10-11,14-15,17H2.
What are the key properties of 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 360.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-phenyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 50954754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).