5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one

C22H25NO — CID 154680657

IUPAC5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one
SMILESCc1c(C2CCN(Cc3ccccc3)CC2)ccc2c1CCC2=O
InChIInChI=1S/C22H25NO/c1-16-19(7-8-21-20(16)9-10-22(21)24)18-11-13-23(14-12-18)15-17-5-3-2-4-6-17/h2-8,18H,9-15H2,1H3
InChIKeyVDWSHEVNAWVVHB-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.50
Rot. Bonds3

About 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one

5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one (PubChem CID 154680657) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one
PubChem CID154680657
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one
SMILESCc1c(C2CCN(Cc3ccccc3)CC2)ccc2c1CCC2=O
InChIInChI=1S/C22H25NO/c1-16-19(7-8-21-20(16)9-10-22(21)24)18-11-13-23(14-12-18)15-17-5-3-2-4-6-17/h2-8,18H,9-15H2,1H3
InChIKeyVDWSHEVNAWVVHB-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one (CID 154680657) is 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one is Cc1c(C2CCN(Cc3ccccc3)CC2)ccc2c1CCC2=O.
What is the InChIKey of 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one?
The InChIKey is VDWSHEVNAWVVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-16-19(7-8-21-20(16)9-10-22(21)24)18-11-13-23(14-12-18)15-17-5-3-2-4-6-17/h2-8,18H,9-15H2,1H3.
What are the key properties of 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one?
5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one has a molecular weight of 319.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-4-yl)-4-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 154680657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).