(3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one

C20H25N3O2 — CID 10065807

IUPAC(3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one
SMILESO=C1NC(O)CC[C@@H]1[C@@H]1CCC[C@@H]2c3[nH]c4ccccc4c3CCN21
InChIInChI=1S/C20H25N3O2/c24-18-9-8-14(20(25)22-18)16-6-3-7-17-19-13(10-11-23(16)17)12-4-1-2-5-15(12)21-19/h1-2,4-5,14,16-18,21,24H,3,6-11H2,(H,22,25)/t14-,16+,17-,18?/m1/s1
InChIKeyORSNKWHPKJJIQO-JSWLAIEMSA-N
MW339.44 g/mol
LogP2.46
Rot. Bonds1

About (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one

(3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one (PubChem CID 10065807) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one
PubChem CID10065807
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one
SMILESO=C1NC(O)CC[C@@H]1[C@@H]1CCC[C@@H]2c3[nH]c4ccccc4c3CCN21
InChIInChI=1S/C20H25N3O2/c24-18-9-8-14(20(25)22-18)16-6-3-7-17-19-13(10-11-23(16)17)12-4-1-2-5-15(12)21-19/h1-2,4-5,14,16-18,21,24H,3,6-11H2,(H,22,25)/t14-,16+,17-,18?/m1/s1
InChIKeyORSNKWHPKJJIQO-JSWLAIEMSA-N
XLogP2.46
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]piperidine-2,6-dione
CID 11724637
19-methoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4,6,8,17-pentaen-16-one
CID 146319507
ethyl (1S,14S,19S)-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4,6,8,17-pentaene-17-carboxylate
CID 56953704
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
CID 12868332
(2R,5S)-5-methyl-7,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),12,14,16-tetraen-6-one
CID 1403540
ethane;2-methyl-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-3-one
CID 142977493
(3R,4S,12bS)-4-methyl-3-prop-2-enyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine;ethanol
CID 139095870
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 83756423
10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione
CID 22500646
1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
CID 21223288
1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-16-carboxylic acid
CID 71238916

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one?
The IUPAC name of (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one (CID 10065807) is (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one is O=C1NC(O)CC[C@@H]1[C@@H]1CCC[C@@H]2c3[nH]c4ccccc4c3CCN21.
What is the InChIKey of (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one?
The InChIKey is ORSNKWHPKJJIQO-JSWLAIEMSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-18-9-8-14(20(25)22-18)16-6-3-7-17-19-13(10-11-23(16)17)12-4-1-2-5-15(12)21-19/h1-2,4-5,14,16-18,21,24H,3,6-11H2,(H,22,25)/t14-,16+,17-,18?/m1/s1.
What are the key properties of (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one?
(3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4S,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-4-yl]-6-hydroxypiperidin-2-one is sourced from PubChem (CID 10065807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).