2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone

C19H26N2O — CID 167895320

IUPAC2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)CCNC2)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H26N2O/c22-18(16-4-5-17-13-20-10-6-15(17)12-16)21-11-9-19(14-21)7-2-1-3-8-19/h4-5,12,20H,1-3,6-11,13-14H2
InChIKeyPZKQIOUIMXCORR-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.13
Rot. Bonds1

About 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone

2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone (PubChem CID 167895320) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone.

Molecular Properties

Compound Name2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone
PubChem CID167895320
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)CCNC2)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H26N2O/c22-18(16-4-5-17-13-20-10-6-15(17)12-16)21-11-9-19(14-21)7-2-1-3-8-19/h4-5,12,20H,1-3,6-11,13-14H2
InChIKeyPZKQIOUIMXCORR-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
1-(2,3-dihydro-1H-isoindole-5-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 115867016
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone
CID 25060401
(3-amino-4-bromophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62935978
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
CID 91764202
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 107217446
2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone
CID 141337202
2,3-dihydro-1H-isoindol-5-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 104872479
2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
2-[1-(1,2,3,4-tetrahydroisoquinoline-7-carbonyl)azetidin-3-yl]propanoic acid
CID 116682378
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone;dihydrochloride
CID 154893496
4-(2,3-dihydro-1H-isoindole-5-carbonyl)piperazine-2,6-dione
CID 103999097

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone?
The IUPAC name of 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone (CID 167895320) is 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone.
What is the SMILES notation for 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone?
The canonical SMILES for 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone is O=C(c1ccc2c(c1)CCNC2)N1CCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone?
The InChIKey is PZKQIOUIMXCORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-18(16-4-5-17-13-20-10-6-15(17)12-16)21-11-9-19(14-21)7-2-1-3-8-19/h4-5,12,20H,1-3,6-11,13-14H2.
What are the key properties of 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone?
2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone has a molecular weight of 298.43 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.5]decan-2-yl(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone is sourced from PubChem (CID 167895320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).