N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

C21H24N2O2 — CID 70770280

IUPACN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccccc2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H24N2O2/c1-25-19-18(23-20(24)15-7-3-2-4-8-15)16-9-5-6-10-17(16)21(19)11-13-22-14-12-21/h2-10,18-19,22H,11-14H2,1H3,(H,23,24)/t18-,19+/m1/s1
InChIKeyWIASZJSSHSSDER-MOPGFXCFSA-N
MW336.44 g/mol
LogP2.81
Rot. Bonds3

About N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (PubChem CID 70770280) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
PubChem CID70770280
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccccc2)c2ccccc2C12CCNCC2
InChIInChI=1S/C21H24N2O2/c1-25-19-18(23-20(24)15-7-3-2-4-8-15)16-9-5-6-10-17(16)21(19)11-13-22-14-12-21/h2-10,18-19,22H,11-14H2,1H3,(H,23,24)/t18-,19+/m1/s1
InChIKeyWIASZJSSHSSDER-MOPGFXCFSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide 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 N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (CID 70770280) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is CO[C@H]1[C@H](NC(=O)c2ccccc2)c2ccccc2C12CCNCC2.
What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The InChIKey is WIASZJSSHSSDER-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-19-18(23-20(24)15-7-3-2-4-8-15)16-9-5-6-10-17(16)21(19)11-13-22-14-12-21/h2-10,18-19,22H,11-14H2,1H3,(H,23,24)/t18-,19+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is sourced from PubChem (CID 70770280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).