3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one

C14H19NO2 — CID 923464

IUPAC3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCc1ccc(C=CC(=O)N2CCC(C)CC2)o1
InChIInChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)14(16)6-5-13-4-3-12(2)17-13/h3-6,11H,7-10H2,1-2H3
InChIKeyPZPBYSDSJGXMLF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.86
Rot. Bonds2

About 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one

3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 923464) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
PubChem CID923464
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCc1ccc(C=CC(=O)N2CCC(C)CC2)o1
InChIInChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)14(16)6-5-13-4-3-12(2)17-13/h3-6,11H,7-10H2,1-2H3
InChIKeyPZPBYSDSJGXMLF-UHFFFAOYSA-N
XLogP2.86
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-2-furyl)-N-(2-phenylethyl)acrylamide
CID 874587
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2099363
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidine-3-carboxamide
CID 6223967
3,5-Dimethyl-1-[3-(5-methyl-2-furyl)acryloyl]piperidine
CID 5865129
1-Ethyl-4-[3-(5-methyl-2-furyl)acryloyl]piperazine
CID 896582
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6283919
1-Benzyl-4-[3-(5-methyl-2-furyl)acryloyl]piperazine
CID 896533
(E)-1-(4-benzylpiperidin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 2110401
1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidine-4-carboxamide
CID 2129213
1-[3-(2-Furyl)acryloyl]-3-phenylpiperidine
CID 5729887
3-(2-Furanyl)-1-(4-morpholinyl)-2-propen-1-one
CID 251283

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one (CID 923464) is 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one is Cc1ccc(C=CC(=O)N2CCC(C)CC2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is PZPBYSDSJGXMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-9-15(10-8-11)14(16)6-5-13-4-3-12(2)17-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one?
3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 923464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).