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

C22H25N3O2 — CID 134787447

IUPAC2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone
SMILESNCC(=O)N1Cc2ccccc2CC12CCCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C22H25N3O2/c23-14-20(26)25-15-19-10-5-4-9-18(19)13-22(25)11-6-12-24(16-22)21(27)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16,23H2
InChIKeyHUFPFVAZRIZRHC-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.20
Rot. Bonds2

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

2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone (PubChem CID 134787447) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone
PubChem CID134787447
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone
SMILESNCC(=O)N1Cc2ccccc2CC12CCCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C22H25N3O2/c23-14-20(26)25-15-19-10-5-4-9-18(19)13-22(25)11-6-12-24(16-22)21(27)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16,23H2
InChIKeyHUFPFVAZRIZRHC-UHFFFAOYSA-N
XLogP2.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone
CID 134790826
(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
CID 155901303
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
CID 97481590
2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 118740602
cyclopentyl-[1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl]methanone
CID 134789820
CID 134789907
CID 134789907
phenyl-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)methanone
CID 134790585
(3S)-3-hydroxy-1-(4-phenylbenzoyl)piperidine-3-carboxamide
CID 100651742
N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119628747
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride
CID 75495951

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone?
The IUPAC name of 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone (CID 134787447) is 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone is NCC(=O)N1Cc2ccccc2CC12CCCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone?
The InChIKey is HUFPFVAZRIZRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c23-14-20(26)25-15-19-10-5-4-9-18(19)13-22(25)11-6-12-24(16-22)21(27)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16,23H2.
What are the key properties of 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone?
2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone has a molecular weight of 363.46 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone is sourced from PubChem (CID 134787447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).