3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one

C18H21NO2 — CID 2964472

IUPAC3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccco1)N1CCCCC1
InChIInChI=1S/C18H21NO2/c20-18(19-11-5-2-6-12-19)14-16(17-10-7-13-21-17)15-8-3-1-4-9-15/h1,3-4,7-10,13,16H,2,5-6,11-12,14H2
InChIKeySSKDKRHXRZLDMY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds4

About 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one

3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 2964472) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID2964472
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccco1)N1CCCCC1
InChIInChI=1S/C18H21NO2/c20-18(19-11-5-2-6-12-19)14-16(17-10-7-13-21-17)15-8-3-1-4-9-15/h1,3-4,7-10,13,16H,2,5-6,11-12,14H2
InChIKeySSKDKRHXRZLDMY-UHFFFAOYSA-N
XLogP3.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one (CID 2964472) is 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one is O=C(CC(c1ccccc1)c1ccco1)N1CCCCC1.
What is the InChIKey of 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is SSKDKRHXRZLDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(19-11-5-2-6-12-19)14-16(17-10-7-13-21-17)15-8-3-1-4-9-15/h1,3-4,7-10,13,16H,2,5-6,11-12,14H2.
What are the key properties of 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 2964472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).