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

C23H27NO2 — CID 10521778

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cccc2c1CC(CC1CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C23H27NO2/c1-26-22-9-5-8-20-21(22)15-19(23(20)25)14-17-10-12-24(13-11-17)16-18-6-3-2-4-7-18/h2-9,17,19H,10-16H2,1H3
InChIKeyKUSSCVJBDDYTOG-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.35
Rot. Bonds5

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

2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one (PubChem CID 10521778) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one
PubChem CID10521778
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cccc2c1CC(CC1CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C23H27NO2/c1-26-22-9-5-8-20-21(22)15-19(23(20)25)14-17-10-12-24(13-11-17)16-18-6-3-2-4-7-18/h2-9,17,19H,10-16H2,1H3
InChIKeyKUSSCVJBDDYTOG-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one (CID 10521778) is 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one is COc1cccc2c1CC(CC1CCN(Cc3ccccc3)CC1)C2=O.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one?
The InChIKey is KUSSCVJBDDYTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-26-22-9-5-8-20-21(22)15-19(23(20)25)14-17-10-12-24(13-11-17)16-18-6-3-2-4-7-18/h2-9,17,19H,10-16H2,1H3.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one?
2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one has a molecular weight of 349.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl]-4-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 10521778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).