2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone

C24H30N2O2 — CID 121359978

IUPAC2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
SMILESCOCC(=O)N1CCc2ccccc2C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C24H30N2O2/c1-28-19-23(27)26-16-12-21-9-5-6-10-22(21)24(26)13-17-25(18-14-24)15-11-20-7-3-2-4-8-20/h2-10H,11-19H2,1H3
InChIKeyJHBHAFVRTVNOFH-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.25
Rot. Bonds5

About 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone

2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone (PubChem CID 121359978) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
PubChem CID121359978
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
SMILESCOCC(=O)N1CCc2ccccc2C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C24H30N2O2/c1-28-19-23(27)26-16-12-21-9-5-6-10-22(21)24(26)13-17-25(18-14-24)15-11-20-7-3-2-4-8-20/h2-10H,11-19H2,1H3
InChIKeyJHBHAFVRTVNOFH-UHFFFAOYSA-N
XLogP3.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone with MolForge

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Related Compounds

2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121350884
2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride
CID 118742012
4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]pyridine-2-carbonitrile
CID 121359805
1-(1'-benzylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)-2,2,2-trifluoroethanone
CID 121359829
N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide
CID 121350945
tert-butyl N-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-N-methylcarbamate
CID 121359639
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-methyl-8-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 26336960
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
CID 121359940
4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 56894887

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone?
The IUPAC name of 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone (CID 121359978) is 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone is COCC(=O)N1CCc2ccccc2C12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone?
The InChIKey is JHBHAFVRTVNOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-19-23(27)26-16-12-21-9-5-6-10-22(21)24(26)13-17-25(18-14-24)15-11-20-7-3-2-4-8-20/h2-10H,11-19H2,1H3.
What are the key properties of 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone?
2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone has a molecular weight of 378.52 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone is sourced from PubChem (CID 121359978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).