1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one

C19H21NO2 — CID 75408323

IUPAC1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C19H21NO2/c21-19(9-8-18-7-4-14-22-18)20-12-10-17(11-13-20)15-16-5-2-1-3-6-16/h1-7,14-15H,8-13H2
InChIKeyFFWRZEGAGBADKS-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.92
Rot. Bonds4

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

1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one (PubChem CID 75408323) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
PubChem CID75408323
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C19H21NO2/c21-19(9-8-18-7-4-14-22-18)20-12-10-17(11-13-20)15-16-5-2-1-3-6-16/h1-7,14-15H,8-13H2
InChIKeyFFWRZEGAGBADKS-UHFFFAOYSA-N
XLogP3.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)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

Related Compounds

3-(furan-2-yl)-1-(4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 28780592
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-(furan-2-yl)propan-1-one
CID 56819353
4-benzylidene-N-(furan-2-ylmethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414514
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 10693347
1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 32538724
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
2-[4-[3-(furan-2-yl)propanoyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77012011
1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56886349
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
CID 62689381
3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110311024

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one (CID 75408323) is 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one?
The InChIKey is FFWRZEGAGBADKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(9-8-18-7-4-14-22-18)20-12-10-17(11-13-20)15-16-5-2-1-3-6-16/h1-7,14-15H,8-13H2.
What are the key properties of 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one?
1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 75408323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).