1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]

C22H24N2 — CID 70155622

IUPAC1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCc4c3[nH]c3ccccc43)CC2)cc1
InChIInChI=1S/C22H24N2/c1-2-6-17(7-3-1)16-24-14-12-22(13-15-24)11-10-19-18-8-4-5-9-20(18)23-21(19)22/h1-9,23H,10-16H2
InChIKeyGINIVJKTRYTWOF-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.65
Rot. Bonds2

About 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]

1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine] (PubChem CID 70155622) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]
PubChem CID70155622
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]
SMILESc1ccc(CN2CCC3(CCc4c3[nH]c3ccccc43)CC2)cc1
InChIInChI=1S/C22H24N2/c1-2-6-17(7-3-1)16-24-14-12-22(13-15-24)11-10-19-18-8-4-5-9-20(18)23-21(19)22/h1-9,23H,10-16H2
InChIKeyGINIVJKTRYTWOF-UHFFFAOYSA-N
XLogP4.65
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine] (CID 70155622) is 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine] is c1ccc(CN2CCC3(CCc4c3[nH]c3ccccc43)CC2)cc1.
What is the InChIKey of 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]?
The InChIKey is GINIVJKTRYTWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-6-17(7-3-1)16-24-14-12-22(13-15-24)11-10-19-18-8-4-5-9-20(18)23-21(19)22/h1-9,23H,10-16H2.
What are the key properties of 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]?
1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine] has a molecular weight of 316.45 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine] is sourced from PubChem (CID 70155622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).