3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one

C17H17NO3 — CID 166205934

IUPAC3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one
SMILESCC1CN(C(=O)c2ccc(-c3ccccc3)o2)CCC1=O
InChIInChI=1S/C17H17NO3/c1-12-11-18(10-9-14(12)19)17(20)16-8-7-15(21-16)13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3
InChIKeyQALNBULDXBCWAT-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.00
Rot. Bonds2

About 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one

3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one (PubChem CID 166205934) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one
PubChem CID166205934
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one
SMILESCC1CN(C(=O)c2ccc(-c3ccccc3)o2)CCC1=O
InChIInChI=1S/C17H17NO3/c1-12-11-18(10-9-14(12)19)17(20)16-8-7-15(21-16)13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3
InChIKeyQALNBULDXBCWAT-UHFFFAOYSA-N
XLogP3.00
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one (CID 166205934) is 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one is CC1CN(C(=O)c2ccc(-c3ccccc3)o2)CCC1=O.
What is the InChIKey of 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one?
The InChIKey is QALNBULDXBCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-12-11-18(10-9-14(12)19)17(20)16-8-7-15(21-16)13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3.
What are the key properties of 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one?
3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one has a molecular weight of 283.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-phenylfuran-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 166205934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).