2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C83H129N9O5 — CID 161364674

About 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen

2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 161364674) has the molecular formula C83H129N9O5 and a molecular weight of 1333.00 g/mol. Its IUPAC name is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 161364674
• Molecular Formula: C83H129N9O5
• Molecular Weight: 1333.00 g/mol
• Exact Mass: 1332.01
• IUPAC Name: 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CC(=O)NC1CC2(CCN(C(C)C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CC(=O)N(C)C)CC2)c2ccccc21.CCN(CC)C(=O)N[C@H]1CC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.Cc1ccc2c(c1)C(=O)CC21CCN(CCC(C)(C)C)CC1.[H][H].[H][H]
• InChI: InChI=1S/C24H39N3O.C20H30N2O.C20H29NO.C19H27N3O2.2H2/c1-6-27(7-2)22(28)25-21-18-24(20-11-9-8-10-19(20)21)13-16-26(17-14-24)15-12-23(3,4)5;1-14(2)15(3)22-11-9-20(10-12-22)13-19(21-16(4)23)17-7-5-6-8-18(17)20;1-15-5-6-17-16(13-15)18(22)14-20(17)8-11-21(12-9-20)10-7-19(2,3)4;1-14(23)20-17-12-19(16-7-5-4-6-15(16)17)8-10-22(11-9-19)13-18(24)21(2)3;;/h8-11,21H,6-7,12-18H2,1-5H3,(H,25,28);5-8,14-15,19H,9-13H2,1-4H3,(H,21,23);5-6,13H,7-12,14H2,1-4H3;4-7,17H,8-13H2,1-3H3,(H,20,23);2*1H/t21-;;;17-;;/m0..0../s1
• InChIKey: VPQSOBBXFICOEY-LYVRXHEASA-N
• XLogP: 15.13
• TPSA: 140.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1333.00
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 161364674) is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

What is the SMILES notation for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The canonical SMILES for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(=O)NC1CC2(CCN(C(C)C(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CC2(CCN(CC(=O)N(C)C)CC2)c2ccccc21.CCN(CC)C(=O)N[C@H]1CC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.Cc1ccc2c(c1)C(=O)CC21CCN(CCC(C)(C)C)CC1.[H][H].[H][H].

What is the InChIKey of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

The InChIKey is VPQSOBBXFICOEY-LYVRXHEASA-N. The full InChI is InChI=1S/C24H39N3O.C20H30N2O.C20H29NO.C19H27N3O2.2H2/c1-6-27(7-2)22(28)25-21-18-24(20-11-9-8-10-19(20)21)13-16-26(17-14-24)15-12-23(3,4)5;1-14(2)15(3)22-11-9-20(10-12-22)13-19(21-16(4)23)17-7-5-6-8-18(17)20;1-15-5-6-17-16(13-15)18(22)14-20(17)8-11-21(12-9-20)10-7-19(2,3)4;1-14(23)20-17-12-19(16-7-5-4-6-15(16)17)8-10-22(11-9-19)13-18(24)21(2)3;;/h8-11,21H,6-7,12-18H2,1-5H3,(H,25,28);5-8,14-15,19H,9-13H2,1-4H3,(H,21,23);5-6,13H,7-12,14H2,1-4H3;4-7,17H,8-13H2,1-3H3,(H,20,23);2*1H/t21-;;;17-;;/m0..0../s1.

What are the key properties of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen?

2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1333.00 g/mol, XLogP of 15.13, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N,N-dimethylacetamide;1'-(3,3-dimethylbutyl)-6-methylspiro[2H-indene-3,4'-piperidine]-1-one;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-diethylurea;N-[1'-(3-methylbutan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 161364674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).