benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride

C79H103ClN18O13 — CID 158314929

About benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride

benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride (PubChem CID 158314929) has the molecular formula C79H103ClN18O13 and a molecular weight of 1548.26 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride.

Molecular Properties

• Compound Name: benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride
• PubChem CID: 158314929
• Molecular Formula: C79H103ClN18O13
• Molecular Weight: 1548.26 g/mol
• Exact Mass: 1546.76
• IUPAC Name: benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride
• SMILES: C.CN[C@H](C)C(=O)N1CCC2(CC1)CCN(C(=O)[C@@H](Cc1cc(C)c3[nH]ncc3c1)NC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)C2.C[C@H](C(=O)N1CCC2(CCNC2)CC1)N(C)C(=O)OCc1ccccc1.Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)C(=O)O)cc2cn[nH]c12.Cl
• InChI: InChI=1S/C35H45N9O5.C23H24N6O5.C20H29N3O3.CH4.ClH/c1-22-17-24(18-25-20-38-41-28(22)25)19-27(31(46)44-14-8-34(21-44)6-12-42(13-7-34)30(45)23(2)36-3)39-32(47)43-15-9-35(10-16-43)26-5-4-11-37-29(26)40-33(48)49-35;1-13-9-14(10-15-12-25-28-18(13)15)11-17(20(30)31)26-21(32)29-7-4-23(5-8-29)16-3-2-6-24-19(16)27-22(33)34-23;1-16(22(2)19(25)26-14-17-6-4-3-5-7-17)18(24)23-12-9-20(10-13-23)8-11-21-15-20;;/h4-5,11,17-18,20,23,27,36H,6-10,12-16,19,21H2,1-3H3,(H,38,41)(H,39,47)(H,37,40,48);2-3,6,9-10,12,17H,4-5,7-8,11H2,1H3,(H,25,28)(H,26,32)(H,30,31)(H,24,27,33);3-7,16,21H,8-15H2,1-2H3;1H4;1H/t23-,27-;17-;16-;;/m111../s1
• InChIKey: JRYWXWWTBCJRLV-WFDJECDHSA-N
• XLogP: 8.72
• TPSA: 376.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1548.26
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride?

The IUPAC name of benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride (CID 158314929) is benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride.

What is the SMILES notation for benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride?

The canonical SMILES for benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride is C.CN[C@H](C)C(=O)N1CCC2(CC1)CCN(C(=O)[C@@H](Cc1cc(C)c3[nH]ncc3c1)NC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)C2.C[C@H](C(=O)N1CCC2(CCNC2)CC1)N(C)C(=O)OCc1ccccc1.Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)C(=O)O)cc2cn[nH]c12.Cl.

What is the InChIKey of benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride?

The InChIKey is JRYWXWWTBCJRLV-WFDJECDHSA-N. The full InChI is InChI=1S/C35H45N9O5.C23H24N6O5.C20H29N3O3.CH4.ClH/c1-22-17-24(18-25-20-38-41-28(22)25)19-27(31(46)44-14-8-34(21-44)6-12-42(13-7-34)30(45)23(2)36-3)39-32(47)43-15-9-35(10-16-43)26-5-4-11-37-29(26)40-33(48)49-35;1-13-9-14(10-15-12-25-28-18(13)15)11-17(20(30)31)26-21(32)29-7-4-23(5-8-29)16-3-2-6-24-19(16)27-22(33)34-23;1-16(22(2)19(25)26-14-17-6-4-3-5-7-17)18(24)23-12-9-20(10-13-23)8-11-21-15-20;;/h4-5,11,17-18,20,23,27,36H,6-10,12-16,19,21H2,1-3H3,(H,38,41)(H,39,47)(H,37,40,48);2-3,6,9-10,12,17H,4-5,7-8,11H2,1H3,(H,25,28)(H,26,32)(H,30,31)(H,24,27,33);3-7,16,21H,8-15H2,1-2H3;1H4;1H/t23-,27-;17-;16-;;/m111../s1.

What are the key properties of benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride?

benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride has a molecular weight of 1548.26 g/mol, XLogP of 8.72, 14 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2R)-1-(2,8-diazaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]-N-methylcarbamate;methane;N-[(2R)-1-[8-[(2R)-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide;(2R)-3-(7-methyl-1H-indazol-5-yl)-2-[(2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carbonyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 158314929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).