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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Related Compounds

1'-benzyl-2-(2-pyrrolidin-1-ylethyl)spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]
CID 3076353
methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate
CID 7195684
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
CID 45098939
4-benzyl-2-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 3635261
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 138056197
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-thiane]
CID 10468482
1'-(3-phenoxypropyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 126472040
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
CID 13317108

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).