5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one

C22H25NO2 — CID 22273782

IUPAC5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)CC(CN1CCC(c3ccccc3)CC1)C2=O
InChIInChI=1S/C22H25NO2/c1-25-20-7-8-21-18(14-20)13-19(22(21)24)15-23-11-9-17(10-12-23)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3
InChIKeyLDZFYCBZLOGQCW-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.93
Rot. Bonds4

About 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one

5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one (PubChem CID 22273782) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one
PubChem CID22273782
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)CC(CN1CCC(c3ccccc3)CC1)C2=O
InChIInChI=1S/C22H25NO2/c1-25-20-7-8-21-18(14-20)13-19(22(21)24)15-23-11-9-17(10-12-23)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3
InChIKeyLDZFYCBZLOGQCW-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one (CID 22273782) is 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one is COc1ccc2c(c1)CC(CN1CCC(c3ccccc3)CC1)C2=O.
What is the InChIKey of 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is LDZFYCBZLOGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-25-20-7-8-21-18(14-20)13-19(22(21)24)15-23-11-9-17(10-12-23)16-5-3-2-4-6-16/h2-8,14,17,19H,9-13,15H2,1H3.
What are the key properties of 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one?
5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 335.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 22273782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).