1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone

C24H34N2O — CID 11992236

IUPAC1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2C2(CCN(CC3CCC(C)=CC3C)CC2)C1
InChIInChI=1S/C24H34N2O/c1-18-8-9-21(19(2)14-18)15-25-12-10-24(11-13-25)17-26(20(3)27)16-22-6-4-5-7-23(22)24/h4-7,14,19,21H,8-13,15-17H2,1-3H3
InChIKeyFGYBPWYAKRZFJJ-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.37
Rot. Bonds2

About 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone

1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone (PubChem CID 11992236) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone.

Molecular Properties

Compound Name1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
PubChem CID11992236
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2C2(CCN(CC3CCC(C)=CC3C)CC2)C1
InChIInChI=1S/C24H34N2O/c1-18-8-9-21(19(2)14-18)15-25-12-10-24(11-13-25)17-26(20(3)27)16-22-6-4-5-7-23(22)24/h4-7,14,19,21H,8-13,15-17H2,1-3H3
InChIKeyFGYBPWYAKRZFJJ-UHFFFAOYSA-N
XLogP4.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1'-[(2-methoxyphenyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089626
1-[1'-(thian-4-yl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089524
1-[1'-[(3S,6R,7S)-7-tricyclo[4.2.0.01,3]octanyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089522
1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089803
1-[1'-(1-benzofuran-2-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089777
[1'-(cyclopentylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]-(2-methylcyclopropyl)methanone;2,2,2-trifluoroacetic acid
CID 155830913
2-methoxyethyl 1'-[(1-ethoxycarbonylpiperidin-4-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate
CID 11992518
methyl 3-(2-acetylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58089561
(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
CID 166417503
N-cyclopentyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxamide;dihydrochloride
CID 155861280
1-[1'-(1,3-benzodioxole-5-carbonyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 97407777
2-chloro-1-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylethanone
CID 166408836

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone?
The IUPAC name of 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone (CID 11992236) is 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone.
What is the SMILES notation for 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone?
The canonical SMILES for 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone is CC(=O)N1Cc2ccccc2C2(CCN(CC3CCC(C)=CC3C)CC2)C1.
What is the InChIKey of 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone?
The InChIKey is FGYBPWYAKRZFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-18-8-9-21(19(2)14-18)15-25-12-10-24(11-13-25)17-26(20(3)27)16-22-6-4-5-7-23(22)24/h4-7,14,19,21H,8-13,15-17H2,1-3H3.
What are the key properties of 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone?
1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone has a molecular weight of 366.55 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[(2,4-dimethylcyclohex-3-en-1-yl)methyl]spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone is sourced from PubChem (CID 11992236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).