[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone

C19H21N3O2 — CID 175986834

IUPAC[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@]2(Cc3ccccc3CN2)[C@H](O)C1
InChIInChI=1S/C19H21N3O2/c23-17-13-22(18(24)16-7-3-4-9-20-16)10-8-19(17)11-14-5-1-2-6-15(14)12-21-19/h1-7,9,17,21,23H,8,10-13H2/t17-,19+/m1/s1
InChIKeyZZPJYZBWESUVLD-MJGOQNOKSA-N
MW323.40 g/mol
LogP1.37
Rot. Bonds1

About [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone

[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone (PubChem CID 175986834) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone
PubChem CID175986834
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@]2(Cc3ccccc3CN2)[C@H](O)C1
InChIInChI=1S/C19H21N3O2/c23-17-13-22(18(24)16-7-3-4-9-20-16)10-8-19(17)11-14-5-1-2-6-15(14)12-21-19/h1-7,9,17,21,23H,8,10-13H2/t17-,19+/m1/s1
InChIKeyZZPJYZBWESUVLD-MJGOQNOKSA-N
XLogP1.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone (CID 175986834) is [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC[C@]2(Cc3ccccc3CN2)[C@H](O)C1.
What is the InChIKey of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone?
The InChIKey is ZZPJYZBWESUVLD-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-17-13-22(18(24)16-7-3-4-9-20-16)10-8-19(17)11-14-5-1-2-6-15(14)12-21-19/h1-7,9,17,21,23H,8,10-13H2/t17-,19+/m1/s1.
What are the key properties of [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone?
[(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone has a molecular weight of 323.40 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3'R)-3'-hydroxyspiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 175986834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).