N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

C73H115N7O4 — CID 157111136

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (PubChem CID 157111136) has the molecular formula C73H115N7O4 and a molecular weight of 1154.77 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
• PubChem CID: 157111136
• Molecular Formula: C73H115N7O4
• Molecular Weight: 1154.77 g/mol
• Exact Mass: 1153.90
• IUPAC Name: N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
• SMILES: CC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)CCN3CCCC3=O)c3ccccc32)CC1.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.[H][H].[H][H]
• InChI: InChI=1S/C27H41N3O2.C23H34N2O.C23H36N2O.2H2/c1-26(2,3)13-18-29-19-14-27(15-20-29)12-10-23(21-7-4-5-8-22(21)27)28-24(31)11-17-30-16-6-9-25(30)32;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-18(26)24(5)21-10-11-23(20-9-7-6-8-19(20)21)13-16-25(17-14-23)15-12-22(2,3)4;;/h4-5,7-8,23H,6,9-20H2,1-3H3,(H,28,31);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);6-9,21H,10-17H2,1-5H3;2*1H/t23-;2*21-;;/m000../s1
• InChIKey: AGWCUNOKOFPDRH-HFEYXJKGSA-N
• XLogP: 14.11
• TPSA: 108.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1154.77
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?

The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (CID 157111136) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.

What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?

The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is CC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)CCN3CCCC3=O)c3ccccc32)CC1.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.[H][H].[H][H].

What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?

The InChIKey is AGWCUNOKOFPDRH-HFEYXJKGSA-N. The full InChI is InChI=1S/C27H41N3O2.C23H34N2O.C23H36N2O.2H2/c1-26(2,3)13-18-29-19-14-27(15-20-29)12-10-23(21-7-4-5-8-22(21)27)28-24(31)11-17-30-16-6-9-25(30)32;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-18(26)24(5)21-10-11-23(20-9-7-6-8-19(20)21)13-16-25(17-14-23)15-12-22(2,3)4;;/h4-5,7-8,23H,6,9-20H2,1-3H3,(H,28,31);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);6-9,21H,10-17H2,1-5H3;2*1H/t23-;2*21-;;/m000../s1.

What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 1154.77 g/mol, XLogP of 14.11, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylacetamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-(2-oxopyrrolidin-1-yl)propanamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 157111136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).