3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

C67H104N6O4 — CID 159880522

About 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide

3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 159880522) has the molecular formula C67H104N6O4 and a molecular weight of 1057.61 g/mol. Its IUPAC name is 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

• Compound Name: 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• PubChem CID: 159880522
• Molecular Formula: C67H104N6O4
• Molecular Weight: 1057.61 g/mol
• Exact Mass: 1056.81
• IUPAC Name: 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
• SMILES: C=CCCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CC(=O)N(C)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CCC(=O)c3ccccc32)CC1.[H][H].[H][H]
• InChI: InChI=1S/C26H41N3O2.C21H30N2O.C20H29NO.2H2/c1-20(30)28(5)16-11-24(31)27-23-10-12-26(22-9-7-6-8-21(22)23)14-18-29(19-15-26)17-13-25(2,3)4;1-3-4-7-14-23-15-12-21(13-16-23)11-10-20(22-17(2)24)18-8-5-6-9-19(18)21;1-19(2,3)10-13-21-14-11-20(12-15-21)9-8-18(22)16-6-4-5-7-17(16)20;;/h6-9,23H,10-19H2,1-5H3,(H,27,31);3,5-6,8-9,20H,1,4,7,10-16H2,2H3,(H,22,24);4-7H,8-15H2,1-3H3;2*1H/t23-;20-;;;/m00.../s1
• InChIKey: NTLSWPAPXDMOTF-WBKKLNTPSA-N
• XLogP: 13.16
• TPSA: 105.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.61
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The IUPAC name of 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide (CID 159880522) is 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide.

What is the SMILES notation for 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The canonical SMILES for 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is C=CCCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CC(=O)N(C)CCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CCC(=O)c3ccccc32)CC1.[H][H].[H][H].

What is the InChIKey of 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

The InChIKey is NTLSWPAPXDMOTF-WBKKLNTPSA-N. The full InChI is InChI=1S/C26H41N3O2.C21H30N2O.C20H29NO.2H2/c1-20(30)28(5)16-11-24(31)27-23-10-12-26(22-9-7-6-8-21(22)23)14-18-29(19-15-26)17-13-25(2,3)4;1-3-4-7-14-23-15-12-21(13-16-23)11-10-20(22-17(2)24)18-8-5-6-9-19(18)21;1-19(2,3)10-13-21-14-11-20(12-15-21)9-8-18(22)16-6-4-5-7-17(16)20;;/h6-9,23H,10-19H2,1-5H3,(H,27,31);3,5-6,8-9,20H,1,4,7,10-16H2,2H3,(H,22,24);4-7H,8-15H2,1-3H3;2*1H/t23-;20-;;;/m00.../s1.

What are the key properties of 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide?

3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 1057.61 g/mol, XLogP of 13.16, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[acetyl(methyl)amino]-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide;1'-(3,3-dimethylbutyl)spiro[2,3-dihydronaphthalene-4,4'-piperidine]-1-one;molecular hydrogen;N-[(1S)-1'-pent-4-enylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 159880522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).