N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen

C88H141N9O7 — CID 157139041

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen
SMILESCC(=O)N[C@H]1CCC2(CCN(CC(=O)C(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CN(C)C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H37N3O.C22H32N2O2.C22H34N2O.C21H30N2O3.4H2/c1-22(2,3)12-15-26-16-13-23(14-17-26)11-10-20(24-21(27)25(4)5)18-8-6-7-9-19(18)23;1-16(25)23-19-9-10-22(18-8-6-5-7-17(18)19)11-13-24(14-12-22)15-20(26)21(2,3)4;1-17(25)23-20-9-10-22(19-8-6-5-7-18(19)20)12-15-24(16-13-22)14-11-21(2,3)4;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;;;;/h6-9,20H,10-17H2,1-5H3,(H,24,27);5-8,19H,9-15H2,1-4H3,(H,23,25);5-8,20H,9-16H2,1-4H3,(H,23,25);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);4*1H/t20-;19-;20-;19-;;;;/m0000..../s1
InChIKeyAJYYFDYBIICSIG-HTIDSLFNSA-N
MW1437.15 g/mol
LogP16.52
Rot. Bonds14

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen (PubChem CID 157139041) has the molecular formula C88H141N9O7 and a molecular weight of 1437.15 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen
PubChem CID157139041
Molecular FormulaC88H141N9O7
Molecular Weight1437.15 g/mol
Exact Mass1436.10
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen
SMILESCC(=O)N[C@H]1CCC2(CCN(CC(=O)C(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CN(C)C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H37N3O.C22H32N2O2.C22H34N2O.C21H30N2O3.4H2/c1-22(2,3)12-15-26-16-13-23(14-17-26)11-10-20(24-21(27)25(4)5)18-8-6-7-9-19(18)23;1-16(25)23-19-9-10-22(18-8-6-5-7-17(18)19)11-13-24(14-12-22)15-20(26)21(2,3)4;1-17(25)23-20-9-10-22(19-8-6-5-7-18(19)20)12-15-24(16-13-22)14-11-21(2,3)4;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;;;;/h6-9,20H,10-17H2,1-5H3,(H,24,27);5-8,19H,9-15H2,1-4H3,(H,23,25);5-8,20H,9-16H2,1-4H3,(H,23,25);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);4*1H/t20-;19-;20-;19-;;;;/m0000..../s1
InChIKeyAJYYFDYBIICSIG-HTIDSLFNSA-N
XLogP16.52
TPSA175.97 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.15
LogP ≤ 516.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen with MolForge

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Related Compounds

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541063
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159541064
N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 24875546
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;N-[1'-(3-methylbut-2-enyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;molecular hydrogen
CID 159797589
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide;molecular hydrogen
CID 158833215
(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 157199954
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 58033753
4-[2-(1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)ethyl]-N,N-dimethylpiperidine-1-carboxamide;molecular hydrogen
CID 159330542
N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433181
(3S)-N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-hydroxybutanamide
CID 24876671
(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide
CID 58033881
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen
CID 162068259

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]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen (CID 157139041) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;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]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen is CC(=O)N[C@H]1CCC2(CCN(CC(=O)C(C)(C)C)CC2)c2ccccc21.CC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.CN(C)C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[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]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen?
The InChIKey is AJYYFDYBIICSIG-HTIDSLFNSA-N. The full InChI is InChI=1S/C23H37N3O.C22H32N2O2.C22H34N2O.C21H30N2O3.4H2/c1-22(2,3)12-15-26-16-13-23(14-17-26)11-10-20(24-21(27)25(4)5)18-8-6-7-9-19(18)23;1-16(25)23-19-9-10-22(18-8-6-5-7-17(18)19)11-13-24(14-12-22)15-20(26)21(2,3)4;1-17(25)23-20-9-10-22(19-8-6-5-7-18(19)20)12-15-24(16-13-22)14-11-21(2,3)4;1-16(24)22-19-9-10-21(18-7-4-3-6-17(18)19)11-14-23(15-12-21)13-5-8-20(25)26-2;;;;/h6-9,20H,10-17H2,1-5H3,(H,24,27);5-8,19H,9-15H2,1-4H3,(H,23,25);5-8,20H,9-16H2,1-4H3,(H,23,25);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);4*1H/t20-;19-;20-;19-;;;;/m0000..../s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen has a molecular weight of 1437.15 g/mol, XLogP of 16.52, 14 rotatable bonds, 4 hydrogen bond donors, and 11 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]acetamide;3-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;methyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]butanoate;molecular hydrogen is sourced from PubChem (CID 157139041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).