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

C21H23NO — CID 46889408

IUPAC2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CC1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23NO/c23-21-18(15-17-6-4-5-9-20(17)21)14-16-10-12-22(13-11-16)19-7-2-1-3-8-19/h1-9,16,18H,10-15H2
InChIKeyMXRJUMCOVVUCLC-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.35
Rot. Bonds3

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

2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one (PubChem CID 46889408) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one
PubChem CID46889408
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1CC1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23NO/c23-21-18(15-17-6-4-5-9-20(17)21)14-16-10-12-22(13-11-16)19-7-2-1-3-8-19/h1-9,16,18H,10-15H2
InChIKeyMXRJUMCOVVUCLC-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one (CID 46889408) is 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1CC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is MXRJUMCOVVUCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c23-21-18(15-17-6-4-5-9-20(17)21)14-16-10-12-22(13-11-16)19-7-2-1-3-8-19/h1-9,16,18H,10-15H2.
What are the key properties of 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one?
2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 305.42 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpiperidin-4-yl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 46889408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).