1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen

C81H125FN8O5 — CID 158188911

IUPAC1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen
SMILESCC(=O)N1CCC(C(=O)N(C)[C@H]2CCC3(CCN(CCC(C)(C)C)CC3)c3ccccc32)CC1.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCCO3)c3ccc(F)cc32)CC1.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)Cc3cccnc3)c3ccccc32)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C29H45N3O2.C27H37N3O.C25H37FN2O2.3H2/c1-22(33)32-17-11-23(12-18-32)27(34)30(5)26-10-13-29(25-9-7-6-8-24(25)26)15-20-31(21-16-29)19-14-28(2,3)4;1-26(2,3)12-16-30-17-13-27(14-18-30)11-10-24(22-8-4-5-9-23(22)27)29-25(31)19-21-7-6-15-28-20-21;1-24(2,3)10-13-28-14-11-25(12-15-28)9-8-21(19-7-6-18(26)17-20(19)25)27-23(29)22-5-4-16-30-22;;;/h6-9,23,26H,10-21H2,1-5H3;4-9,15,20,24H,10-14,16-19H2,1-3H3,(H,29,31);6-7,17,21-22H,4-5,8-16H2,1-3H3,(H,27,29);3*1H/t26-;24-;21-,22?;;;/m011.../s1
InChIKeyFZMPZQJXGWUGOI-RUOANXSYSA-N
MW1309.94 g/mol
LogP15.52
Rot. Bonds13

About 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen

1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen (PubChem CID 158188911) has the molecular formula C81H125FN8O5 and a molecular weight of 1309.94 g/mol. Its IUPAC name is 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen.

Molecular Properties

Compound Name1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen
PubChem CID158188911
Molecular FormulaC81H125FN8O5
Molecular Weight1309.94 g/mol
Exact Mass1308.98
IUPAC Name1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen
SMILESCC(=O)N1CCC(C(=O)N(C)[C@H]2CCC3(CCN(CCC(C)(C)C)CC3)c3ccccc32)CC1.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCCO3)c3ccc(F)cc32)CC1.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)Cc3cccnc3)c3ccccc32)CC1.[H][H].[H][H].[H][H]
InChIInChI=1S/C29H45N3O2.C27H37N3O.C25H37FN2O2.3H2/c1-22(33)32-17-11-23(12-18-32)27(34)30(5)26-10-13-29(25-9-7-6-8-24(25)26)15-20-31(21-16-29)19-14-28(2,3)4;1-26(2,3)12-16-30-17-13-27(14-18-30)11-10-24(22-8-4-5-9-23(22)27)29-25(31)19-21-7-6-15-28-20-21;1-24(2,3)10-13-28-14-11-25(12-15-28)9-8-21(19-7-6-18(26)17-20(19)25)27-23(29)22-5-4-16-30-22;;;/h6-9,23,26H,10-21H2,1-5H3;4-9,15,20,24H,10-14,16-19H2,1-3H3,(H,29,31);6-7,17,21-22H,4-5,8-16H2,1-3H3,(H,27,29);3*1H/t26-;24-;21-,22?;;;/m011.../s1
InChIKeyFZMPZQJXGWUGOI-RUOANXSYSA-N
XLogP15.52
TPSA130.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.94
LogP ≤ 515.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen?
The IUPAC name of 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen (CID 158188911) is 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen.
What is the SMILES notation for 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen?
The canonical SMILES for 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen is CC(=O)N1CCC(C(=O)N(C)[C@H]2CCC3(CCN(CCC(C)(C)C)CC3)c3ccccc32)CC1.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCCO3)c3ccc(F)cc32)CC1.CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)Cc3cccnc3)c3ccccc32)CC1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen?
The InChIKey is FZMPZQJXGWUGOI-RUOANXSYSA-N. The full InChI is InChI=1S/C29H45N3O2.C27H37N3O.C25H37FN2O2.3H2/c1-22(33)32-17-11-23(12-18-32)27(34)30(5)26-10-13-29(25-9-7-6-8-24(25)26)15-20-31(21-16-29)19-14-28(2,3)4;1-26(2,3)12-16-30-17-13-27(14-18-30)11-10-24(22-8-4-5-9-23(22)27)29-25(31)19-21-7-6-15-28-20-21;1-24(2,3)10-13-28-14-11-25(12-15-28)9-8-21(19-7-6-18(26)17-20(19)25)27-23(29)22-5-4-16-30-22;;;/h6-9,23,26H,10-21H2,1-5H3;4-9,15,20,24H,10-14,16-19H2,1-3H3,(H,29,31);6-7,17,21-22H,4-5,8-16H2,1-3H3,(H,27,29);3*1H/t26-;24-;21-,22?;;;/m011.../s1.
What are the key properties of 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen?
1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen has a molecular weight of 1309.94 g/mol, XLogP of 15.52, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-methylpiperidine-4-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-2-pyridin-3-ylacetamide;molecular hydrogen is sourced from PubChem (CID 158188911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).