cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone

C21H27N3O2 — CID 135382465

IUPACcyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c3c([nH]c2c1)CNCC31CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H27N3O2/c1-26-15-5-6-16-17(11-15)23-18-12-22-13-21(19(16)18)7-9-24(10-8-21)20(25)14-3-2-4-14/h5-6,11,14,22-23H,2-4,7-10,12-13H2,1H3
InChIKeyOSWHMZVPPIUPMA-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.94
Rot. Bonds2

About cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone

cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 135382465) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone
PubChem CID135382465
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Namecyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2c3c([nH]c2c1)CNCC31CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H27N3O2/c1-26-15-5-6-16-17(11-15)23-18-12-22-13-21(19(16)18)7-9-24(10-8-21)20(25)14-3-2-4-14/h5-6,11,14,22-23H,2-4,7-10,12-13H2,1H3
InChIKeyOSWHMZVPPIUPMA-UHFFFAOYSA-N
XLogP2.94
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 1'-(cyclobutanecarbonyl)-7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1-carboxylate
CID 142475590
cyclobutyl-[2-[1-(2-fluorophenyl)ethyl]-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone;methanol
CID 142450401
cyclobutyl-[1-(hydroxymethyl)-7-methoxy-2-[[4-(2-methoxyethoxy)phenyl]methyl]spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone
CID 142450397
cyclobutyl-[(1Z)-2-[(4-fluorophenyl)methyl]-1-(hydroxymethylidene)-7-methoxyspiro[3,9-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone
CID 145314876
[2-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]-cyclobutylmethanone
CID 142475653
[2-[(2-bromophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]-cyclobutylmethanone
CID 142450359
CID 142475529
CID 142475529
cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 110197664
[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]-cyclopropylmethanone
CID 134829568
cyclobutyl-[2-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]sulfonyl-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone;methane
CID 142475622
[(4aS)-8-chloro-4a-(3-methoxyphenyl)-3,4,5,6,11,11a-hexahydro-1H-pyrido[4,3-b]carbazol-2-yl]-cyclopropylmethanone
CID 57211394
1-(cyclobutanecarbonyl)-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880079

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone (CID 135382465) is cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone is COc1ccc2c3c([nH]c2c1)CNCC31CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is OSWHMZVPPIUPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-15-5-6-16-17(11-15)23-18-12-22-13-21(19(16)18)7-9-24(10-8-21)20(25)14-3-2-4-14/h5-6,11,14,22-23H,2-4,7-10,12-13H2,1H3.
What are the key properties of cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone?
cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 135382465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).