ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate

C24H36N2O2 — CID 70957572

About ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate

ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate (PubChem CID 70957572) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate
• PubChem CID: 70957572
• Molecular Formula: C24H36N2O2
• Molecular Weight: 384.56 g/mol
• Exact Mass: 384.28
• IUPAC Name: ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate
• SMILES: CCOC(=O)N[C@@H]1CC2(CCN(C[C@@H](C)C3CCCC3)CC2)c2ccccc21
• InChI: InChI=1S/C24H36N2O2/c1-3-28-23(27)25-22-16-24(21-11-7-6-10-20(21)22)12-14-26(15-13-24)17-18(2)19-8-4-5-9-19/h6-7,10-11,18-19,22H,3-5,8-9,12-17H2,1-2H3,(H,25,27)/t18-,22-/m1/s1
• InChIKey: GBOBABHGMBDZLK-XMSQKQJNSA-N
• XLogP: 5.04
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.56
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate?

The IUPAC name of ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate (CID 70957572) is ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate.

What is the SMILES notation for ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate?

The canonical SMILES for ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate is CCOC(=O)N[C@@H]1CC2(CCN(C[C@@H](C)C3CCCC3)CC2)c2ccccc21.

What is the InChIKey of ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate?

The InChIKey is GBOBABHGMBDZLK-XMSQKQJNSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-3-28-23(27)25-22-16-24(21-11-7-6-10-20(21)22)12-14-26(15-13-24)17-18(2)19-8-4-5-9-19/h6-7,10-11,18-19,22H,3-5,8-9,12-17H2,1-2H3,(H,25,27)/t18-,22-/m1/s1.

What are the key properties of ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate?

ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate has a molecular weight of 384.56 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[(1R)-1'-[(2S)-2-cyclopentylpropyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate is sourced from PubChem (CID 70957572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).