2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone

C20H23N3O — CID 121350893

IUPAC2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC2(CC1)NCCc1ccccc12
InChIInChI=1S/C20H23N3O/c24-19(15-16-5-10-21-11-6-16)23-13-8-20(9-14-23)18-4-2-1-3-17(18)7-12-22-20/h1-6,10-11,22H,7-9,12-15H2
InChIKeyQFNGJJWZNACOLO-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.29
Rot. Bonds2

About 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone

2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone (PubChem CID 121350893) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone
PubChem CID121350893
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone
SMILESO=C(Cc1ccncc1)N1CCC2(CC1)NCCc1ccccc12
InChIInChI=1S/C20H23N3O/c24-19(15-16-5-10-21-11-6-16)23-13-8-20(9-14-23)18-4-2-1-3-17(18)7-12-22-20/h1-6,10-11,22H,7-9,12-15H2
InChIKeyQFNGJJWZNACOLO-UHFFFAOYSA-N
XLogP2.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-carboxylate
CID 97411107
ethyl 2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylacetate
CID 121350888
4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid
CID 56900262
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyridin-4-ylethanone
CID 91781163
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 118744656
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 43501406
3-(2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethyl)aniline
CID 121359825
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
(3R)-spiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 96851281

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone (CID 121350893) is 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone is O=C(Cc1ccncc1)N1CCC2(CC1)NCCc1ccccc12.
What is the InChIKey of 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone?
The InChIKey is QFNGJJWZNACOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-19(15-16-5-10-21-11-6-16)23-13-8-20(9-14-23)18-4-2-1-3-17(18)7-12-22-20/h1-6,10-11,22H,7-9,12-15H2.
What are the key properties of 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone?
2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone has a molecular weight of 321.42 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 121350893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).