N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen

C79H126N6O6 — CID 158232323

About N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen

N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen (PubChem CID 158232323) has the molecular formula C79H126N6O6 and a molecular weight of 1255.91 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen
• PubChem CID: 158232323
• Molecular Formula: C79H126N6O6
• Molecular Weight: 1255.91 g/mol
• Exact Mass: 1254.97
• IUPAC Name: N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen
• SMILES: CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CCOCC3)c3ccccc32)CC1.CC(C)COC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)CCC(C)=O)[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H]
• InChI: InChI=1S/C27H42N2O2.C26H40N2O2.C26H42N2O2.H2/c1-6-29(25(31)12-11-21(2)30)24-13-14-27(23-10-8-7-9-22(23)24)16-19-28(20-17-27)18-15-26(3,4)5;1-25(2,3)12-15-28-16-13-26(14-17-28)11-8-23(21-6-4-5-7-22(21)26)27-24(29)20-9-18-30-19-10-20;1-20(2)19-30-24(29)27(6)23-11-12-26(22-10-8-7-9-21(22)23)14-17-28(18-15-26)16-13-25(3,4)5;/h7-10,24H,6,11-20H2,1-5H3;4-7,20,23H,8-19H2,1-3H3,(H,27,29);7-10,20,23H,11-19H2,1-6H3;1H/t24-;2*23-;/m100./s1
• InChIKey: GENJODMBWYCJIK-XZLNXWIDSA-N
• XLogP: 16.60
• TPSA: 114.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.91
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen?

The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen (CID 158232323) is N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen.

What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen?

The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen is CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CCOCC3)c3ccccc32)CC1.CC(C)COC(=O)N(C)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CCN(C(=O)CCC(C)=O)[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].

What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen?

The InChIKey is GENJODMBWYCJIK-XZLNXWIDSA-N. The full InChI is InChI=1S/C27H42N2O2.C26H40N2O2.C26H42N2O2.H2/c1-6-29(25(31)12-11-21(2)30)24-13-14-27(23-10-8-7-9-22(23)24)16-19-28(20-17-27)18-15-26(3,4)5;1-25(2,3)12-15-28-16-13-26(14-17-28)11-8-23(21-6-4-5-7-22(21)26)27-24(29)20-9-18-30-19-10-20;1-20(2)19-30-24(29)27(6)23-11-12-26(22-10-8-7-9-21(22)23)14-17-28(18-15-26)16-13-25(3,4)5;/h7-10,24H,6,11-20H2,1-5H3;4-7,20,23H,8-19H2,1-3H3,(H,27,29);7-10,20,23H,11-19H2,1-6H3;1H/t24-;2*23-;/m100./s1.

What are the key properties of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen?

N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen has a molecular weight of 1255.91 g/mol, XLogP of 16.60, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-4-oxopentanamide;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;2-methylpropyl N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylcarbamate;molecular hydrogen is sourced from PubChem (CID 158232323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).