5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one

C20H23NO3 — CID 110699321

IUPAC5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c1-14-12-18(22)24-15(2)19(14)20(23)21-10-8-17(9-11-21)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyJVMLXFDKWHPHBA-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds3

About 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one

5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one (PubChem CID 110699321) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one.

Molecular Properties

Compound Name5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one
PubChem CID110699321
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO3/c1-14-12-18(22)24-15(2)19(14)20(23)21-10-8-17(9-11-21)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyJVMLXFDKWHPHBA-UHFFFAOYSA-N
XLogP3.35
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one?
The IUPAC name of 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one (CID 110699321) is 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one.
What is the SMILES notation for 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one?
The canonical SMILES for 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one is Cc1cc(=O)oc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one?
The InChIKey is JVMLXFDKWHPHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-12-18(22)24-15(2)19(14)20(23)21-10-8-17(9-11-21)13-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3.
What are the key properties of 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one?
5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one has a molecular weight of 325.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidine-1-carbonyl)-4,6-dimethylpyran-2-one is sourced from PubChem (CID 110699321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).