1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]

C22H31N — CID 70959400

IUPAC1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCC[C@H](CN1CCC2(CCc3ccccc32)CC1)[C@H]1C=CCC1
InChIInChI=1S/C22H31N/c1-2-18(19-7-3-4-8-19)17-23-15-13-22(14-16-23)12-11-20-9-5-6-10-21(20)22/h3,5-7,9-10,18-19H,2,4,8,11-17H2,1H3/t18-,19+/m1/s1
InChIKeyHFWOHMGBZOKPGI-MOPGFXCFSA-N
MW309.50 g/mol
LogP4.96
Rot. Bonds4

About 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]

1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 70959400) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID70959400
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCC[C@H](CN1CCC2(CCc3ccccc32)CC1)[C@H]1C=CCC1
InChIInChI=1S/C22H31N/c1-2-18(19-7-3-4-8-19)17-23-15-13-22(14-16-23)12-11-20-9-5-6-10-21(20)22/h3,5-7,9-10,18-19H,2,4,8,11-17H2,1H3/t18-,19+/m1/s1
InChIKeyHFWOHMGBZOKPGI-MOPGFXCFSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine] (CID 70959400) is 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine] is CC[C@H](CN1CCC2(CCc3ccccc32)CC1)[C@H]1C=CCC1.
What is the InChIKey of 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is HFWOHMGBZOKPGI-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H31N/c1-2-18(19-7-3-4-8-19)17-23-15-13-22(14-16-23)12-11-20-9-5-6-10-21(20)22/h3,5-7,9-10,18-19H,2,4,8,11-17H2,1H3/t18-,19+/m1/s1.
What are the key properties of 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 309.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2S)-2-[(1R)-cyclopent-2-en-1-yl]butyl]spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 70959400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).