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

C22H24N2O2 — CID 134790826

IUPAC1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCCC2(Cc3ccccc3CN2C(=O)c2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c1-17(25)23-13-7-12-22(16-23)14-19-10-5-6-11-20(19)15-24(22)21(26)18-8-3-2-4-9-18/h2-6,8-11H,7,12-16H2,1H3
InChIKeyKZIGSOIAWZIVQC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.27
Rot. Bonds1

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

1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone (PubChem CID 134790826) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone
PubChem CID134790826
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCCC2(Cc3ccccc3CN2C(=O)c2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c1-17(25)23-13-7-12-22(16-23)14-19-10-5-6-11-20(19)15-24(22)21(26)18-8-3-2-4-9-18/h2-6,8-11H,7,12-16H2,1H3
InChIKeyKZIGSOIAWZIVQC-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone
CID 134787447
(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
CID 155901303
CID 134789907
CID 134789907
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)ethanone
CID 134788273
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590
1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 134791330
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 155900251
cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone
CID 134789820
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
CID 134790585
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 155899632

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone?
The IUPAC name of 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone (CID 134790826) is 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone is CC(=O)N1CCCC2(Cc3ccccc3CN2C(=O)c2ccccc2)C1.
What is the InChIKey of 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone?
The InChIKey is KZIGSOIAWZIVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17(25)23-13-7-12-22(16-23)14-19-10-5-6-11-20(19)15-24(22)21(26)18-8-3-2-4-9-18/h2-6,8-11H,7,12-16H2,1H3.
What are the key properties of 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone?
1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 134790826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).