tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C86H134N8O6 — CID 158410848

IUPACtert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(CCC(C)(C)C)CC2)c2ccc(C)cc21.CC(C)(C)CCN1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12.CCC(CC)N1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.Cc1ccc2c(c1)C(=O)CC21CCN(C(=O)OC(C)(C)C)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H37N3O.C22H34N2O.C21H32N2O.C19H25NO3.3H2/c1-23(2,3)10-15-26-16-11-24(12-17-26)18-21(19-8-4-5-9-20(19)24)25-22(28)27-13-6-7-14-27;1-16-6-7-19-18(14-16)20(23-17(2)25)15-22(19)9-12-24(13-10-22)11-8-21(3,4)5;1-4-17(5-2)23-14-12-21(13-15-23)11-10-20(22-16(3)24)18-8-6-7-9-19(18)21;1-13-5-6-15-14(11-13)16(21)12-19(15)7-9-20(10-8-19)17(22)23-18(2,3)4;;;/h4-5,8-9,21H,6-7,10-18H2,1-3H3,(H,25,28);6-7,14,20H,8-13,15H2,1-5H3,(H,23,25);6-9,17,20H,4-5,10-15H2,1-3H3,(H,22,24);5-6,11H,7-10,12H2,1-4H3;3*1H/t21-;2*20-;;;;/m000..../s1
InChIKeyGZHGKYRDZJCNFA-YYCMCHAFSA-N
MW1376.07 g/mol
LogP17.82
Rot. Bonds10

About tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 158410848) has the molecular formula C86H134N8O6 and a molecular weight of 1376.07 g/mol. Its IUPAC name is tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound Nametert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID158410848
Molecular FormulaC86H134N8O6
Molecular Weight1376.07 g/mol
Exact Mass1375.04
IUPAC Nametert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@H]1CC2(CCN(CCC(C)(C)C)CC2)c2ccc(C)cc21.CC(C)(C)CCN1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12.CCC(CC)N1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.Cc1ccc2c(c1)C(=O)CC21CCN(C(=O)OC(C)(C)C)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C24H37N3O.C22H34N2O.C21H32N2O.C19H25NO3.3H2/c1-23(2,3)10-15-26-16-11-24(12-17-26)18-21(19-8-4-5-9-20(19)24)25-22(28)27-13-6-7-14-27;1-16-6-7-19-18(14-16)20(23-17(2)25)15-22(19)9-12-24(13-10-22)11-8-21(3,4)5;1-4-17(5-2)23-14-12-21(13-15-23)11-10-20(22-16(3)24)18-8-6-7-9-19(18)21;1-13-5-6-15-14(11-13)16(21)12-19(15)7-9-20(10-8-19)17(22)23-18(2,3)4;;;/h4-5,8-9,21H,6-7,10-18H2,1-3H3,(H,25,28);6-7,14,20H,8-13,15H2,1-5H3,(H,23,25);6-9,17,20H,4-5,10-15H2,1-3H3,(H,22,24);5-6,11H,7-10,12H2,1-4H3;3*1H/t21-;2*20-;;;;/m000..../s1
InChIKeyGZHGKYRDZJCNFA-YYCMCHAFSA-N
XLogP17.82
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001376.07
LogP ≤ 517.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 158410848) is tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@H]1CC2(CCN(CCC(C)(C)C)CC2)c2ccc(C)cc21.CC(C)(C)CCN1CCC2(CC1)C[C@H](NC(=O)N1CCCC1)c1ccccc12.CCC(CC)N1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.Cc1ccc2c(c1)C(=O)CC21CCN(C(=O)OC(C)(C)C)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is GZHGKYRDZJCNFA-YYCMCHAFSA-N. The full InChI is InChI=1S/C24H37N3O.C22H34N2O.C21H32N2O.C19H25NO3.3H2/c1-23(2,3)10-15-26-16-11-24(12-17-26)18-21(19-8-4-5-9-20(19)24)25-22(28)27-13-6-7-14-27;1-16-6-7-19-18(14-16)20(23-17(2)25)15-22(19)9-12-24(13-10-22)11-8-21(3,4)5;1-4-17(5-2)23-14-12-21(13-15-23)11-10-20(22-16(3)24)18-8-6-7-9-19(18)21;1-13-5-6-15-14(11-13)16(21)12-19(15)7-9-20(10-8-19)17(22)23-18(2,3)4;;;/h4-5,8-9,21H,6-7,10-18H2,1-3H3,(H,25,28);6-7,14,20H,8-13,15H2,1-5H3,(H,23,25);6-9,17,20H,4-5,10-15H2,1-3H3,(H,22,24);5-6,11H,7-10,12H2,1-4H3;3*1H/t21-;2*20-;;;;/m000..../s1.
What are the key properties of tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?
tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 1376.07 g/mol, XLogP of 17.82, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methyl-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyrrolidine-1-carboxamide;molecular hydrogen;N-[(1S)-1'-pentan-3-ylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 158410848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).