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

C23H28N2O2 — CID 70780098

IUPAC2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESCCc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1OC
InChIInChI=1S/C23H28N2O2/c1-3-16-8-4-5-9-17(16)22(26)25-20-18-10-6-7-11-19(18)23(21(20)27-2)12-14-24-15-13-23/h4-11,20-21,24H,3,12-15H2,1-2H3,(H,25,26)/t20-,21+/m1/s1
InChIKeyWRDDCDSGNYWHAR-RTWAWAEBSA-N
MW364.49 g/mol
LogP3.37
Rot. Bonds4

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

2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (PubChem CID 70780098) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
PubChem CID70780098
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
SMILESCCc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1OC
InChIInChI=1S/C23H28N2O2/c1-3-16-8-4-5-9-17(16)22(26)25-20-18-10-6-7-11-19(18)23(21(20)27-2)12-14-24-15-13-23/h4-11,20-21,24H,3,12-15H2,1-2H3,(H,25,26)/t20-,21+/m1/s1
InChIKeyWRDDCDSGNYWHAR-RTWAWAEBSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The IUPAC name of 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide (CID 70780098) is 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide.
What is the SMILES notation for 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The canonical SMILES for 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is CCc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1OC.
What is the InChIKey of 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
The InChIKey is WRDDCDSGNYWHAR-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-16-8-4-5-9-17(16)22(26)25-20-18-10-6-7-11-19(18)23(21(20)27-2)12-14-24-15-13-23/h4-11,20-21,24H,3,12-15H2,1-2H3,(H,25,26)/t20-,21+/m1/s1.
What are the key properties of 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide?
2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide is sourced from PubChem (CID 70780098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).