(1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one

C24H28N2O2 — CID 139186392

IUPAC(1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one
SMILESO=C1[C@H](O)[C@@H]2CC[C@H]3CN(Cc4ccccc4)CC[C@]32N1Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c27-22-21-12-11-20-17-25(15-18-7-3-1-4-8-18)14-13-24(20,21)26(23(22)28)16-19-9-5-2-6-10-19/h1-10,20-22,27H,11-17H2/t20-,21-,22+,24-/m0/s1
InChIKeyROXCPHYWHHMGFR-YCSHWKNNSA-N
MW376.50 g/mol
LogP3.06
Rot. Bonds4

About (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one

(1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one (PubChem CID 139186392) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one.

Molecular Properties

Compound Name(1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one
PubChem CID139186392
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one
SMILESO=C1[C@H](O)[C@@H]2CC[C@H]3CN(Cc4ccccc4)CC[C@]32N1Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c27-22-21-12-11-20-17-25(15-18-7-3-1-4-8-18)14-13-24(20,21)26(23(22)28)16-19-9-5-2-6-10-19/h1-10,20-22,27H,11-17H2/t20-,21-,22+,24-/m0/s1
InChIKeyROXCPHYWHHMGFR-YCSHWKNNSA-N
XLogP3.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one with MolForge

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Related Compounds

2'-hydroxy-1',2',6',10b'-tetrahydro-3'H-spiro[cyclopentane-1,5'-pyrrolo[2,1-a]isoquinolin]-3'-one
CID 4536409
(1S,4R,5R,8S)-10-benzyl-4-hydroxy-2-methyl-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one
CID 139186393
(2R,10bR)-2-hydroxyspiro[1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-5,1'-cyclopentane]-3-one
CID 1263149
(2R,10bS)-2-hydroxyspiro[1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-5,1'-cyclopentane]-3-one
CID 1263150
(2S,10bR)-2-hydroxyspiro[1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-5,1'-cyclopentane]-3-one
CID 1263152
(2S,10bS)-2-hydroxyspiro[1,2,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-5,1'-cyclopentane]-3-one
CID 1263154
(4aR,5R,13bS)-5-hydroxy-1,2,3,4,4a,5,8,9-octahydroindolo[7a,1-a]isoquinolin-6-one
CID 15102387
(4aR,5S,13bS)-5-hydroxy-1,2,3,4,4a,5,8,9-octahydroindolo[7a,1-a]isoquinolin-6-one
CID 15102388

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one?
The IUPAC name of (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one (CID 139186392) is (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one.
What is the SMILES notation for (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one?
The canonical SMILES for (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one is O=C1[C@H](O)[C@@H]2CC[C@H]3CN(Cc4ccccc4)CC[C@]32N1Cc1ccccc1.
What is the InChIKey of (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one?
The InChIKey is ROXCPHYWHHMGFR-YCSHWKNNSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-22-21-12-11-20-17-25(15-18-7-3-1-4-8-18)14-13-24(20,21)26(23(22)28)16-19-9-5-2-6-10-19/h1-10,20-22,27H,11-17H2/t20-,21-,22+,24-/m0/s1.
What are the key properties of (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one?
(1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one has a molecular weight of 376.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5R,8S)-2,10-dibenzyl-4-hydroxy-2,10-diazatricyclo[6.4.0.01,5]dodecan-3-one is sourced from PubChem (CID 139186392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).