3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one

C18H21NO2 — CID 134816054

IUPAC3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one
SMILESO=C(CCc1ccco1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H21NO2/c20-18(11-10-17-5-4-14-21-17)15-6-8-16(9-7-15)19-12-2-1-3-13-19/h4-9,14H,1-3,10-13H2
InChIKeyBHMPSVWJXRDMMR-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.09
Rot. Bonds5

About 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one

3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one (PubChem CID 134816054) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one
PubChem CID134816054
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one
SMILESO=C(CCc1ccco1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H21NO2/c20-18(11-10-17-5-4-14-21-17)15-6-8-16(9-7-15)19-12-2-1-3-13-19/h4-9,14H,1-3,10-13H2
InChIKeyBHMPSVWJXRDMMR-UHFFFAOYSA-N
XLogP4.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one (CID 134816054) is 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one is O=C(CCc1ccco1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one?
The InChIKey is BHMPSVWJXRDMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-18(11-10-17-5-4-14-21-17)15-6-8-16(9-7-15)19-12-2-1-3-13-19/h4-9,14H,1-3,10-13H2.
What are the key properties of 3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one?
3-(furan-2-yl)-1-(4-piperidin-1-ylphenyl)propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 4.09, 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)-1-(4-piperidin-1-ylphenyl)propan-1-one is sourced from PubChem (CID 134816054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).