(10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

C25H25N3O — CID 7232878

IUPAC(10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc34)=NN12
InChIInChI=1S/C25H25N3O/c1-27-15-13-25(14-16-27)28-23(21-10-4-5-12-24(21)29-25)17-22(26-28)20-11-6-8-18-7-2-3-9-19(18)20/h2-12,23H,13-17H2,1H3/t23-/m1/s1
InChIKeyWPAGLAFGMDYHEH-HSZRJFAPSA-N
MW383.50 g/mol
LogP4.81
Rot. Bonds1

About (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

(10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 7232878) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

Compound Name(10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
PubChem CID7232878
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name(10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc34)=NN12
InChIInChI=1S/C25H25N3O/c1-27-15-13-25(14-16-27)28-23(21-10-4-5-12-24(21)29-25)17-22(26-28)20-11-6-8-18-7-2-3-9-19(18)20/h2-12,23H,13-17H2,1H3/t23-/m1/s1
InChIKeyWPAGLAFGMDYHEH-HSZRJFAPSA-N
XLogP4.81
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The IUPAC name of (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 7232878) is (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
What is the SMILES notation for (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The canonical SMILES for (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc34)=NN12.
What is the InChIKey of (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The InChIKey is WPAGLAFGMDYHEH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25N3O/c1-27-15-13-25(14-16-27)28-23(21-10-4-5-12-24(21)29-25)17-22(26-28)20-11-6-8-18-7-2-3-9-19(18)20/h2-12,23H,13-17H2,1H3/t23-/m1/s1.
What are the key properties of (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
(10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 383.50 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 7232878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).