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

C23H28N2O — CID 122667725

IUPAC1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2CC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C23H28N2O/c1-19(26)25-18-22-10-6-5-9-21(22)17-23(25)12-15-24(16-13-23)14-11-20-7-3-2-4-8-20/h2-10H,11-18H2,1H3
InChIKeySHHPKWDTHMVMDE-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.67
Rot. Bonds3

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

1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone (PubChem CID 122667725) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone.

Molecular Properties

Compound Name1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone
PubChem CID122667725
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone
SMILESCC(=O)N1Cc2ccccc2CC12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C23H28N2O/c1-19(26)25-18-22-10-6-5-9-21(22)17-23(25)12-15-24(16-13-23)14-11-20-7-3-2-4-8-20/h2-10H,11-18H2,1H3
InChIKeySHHPKWDTHMVMDE-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone?
The IUPAC name of 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone (CID 122667725) is 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone.
What is the SMILES notation for 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone?
The canonical SMILES for 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone is CC(=O)N1Cc2ccccc2CC12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone?
The InChIKey is SHHPKWDTHMVMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-19(26)25-18-22-10-6-5-9-21(22)17-23(25)12-15-24(16-13-23)14-11-20-7-3-2-4-8-20/h2-10H,11-18H2,1H3.
What are the key properties of 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone?
1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone has a molecular weight of 348.49 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(2-phenylethyl)spiro[1,4-dihydroisoquinoline-3,4'-piperidine]-2-yl]ethanone is sourced from PubChem (CID 122667725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).