(10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

C32H35N3O3 — CID 41027617

About (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

(10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 41027617) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

• Compound Name: (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
• PubChem CID: 41027617
• Molecular Formula: C32H35N3O3
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.27
• IUPAC Name: (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
• SMILES: COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)cc1OC
• InChI: InChI=1S/C32H35N3O3/c1-36-30-15-14-23(20-31(30)37-2)26-21-28-25-11-5-6-13-29(25)38-32(35(28)33-26)16-18-34(19-17-32)27-12-7-9-22-8-3-4-10-24(22)27/h3-6,8,10-11,13-15,20,27-28H,7,9,12,16-19,21H2,1-2H3/t27-,28+/m1/s1
• InChIKey: FLHKCCSOWHLZHB-IZLXSDGUSA-N
• XLogP: 6.12
• TPSA: 46.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?

The IUPAC name of (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 41027617) is (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

What is the SMILES notation for (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?

The canonical SMILES for (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)cc1OC.

What is the InChIKey of (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?

The InChIKey is FLHKCCSOWHLZHB-IZLXSDGUSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-36-30-15-14-23(20-31(30)37-2)26-21-28-25-11-5-6-13-29(25)38-32(35(28)33-26)16-18-34(19-17-32)27-12-7-9-22-8-3-4-10-24(22)27/h3-6,8,10-11,13-15,20,27-28H,7,9,12,16-19,21H2,1-2H3/t27-,28+/m1/s1.

What are the key properties of (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?

(10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 509.65 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (10bS)-2-(3,4-dimethoxyphenyl)-1'-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 41027617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).