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

C86H136N8O7S — CID 159797589

IUPACN-[(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
SMILESCC(=O)NC1CCC2(CCN(CC=C(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H36N2O.C21H30N2O3.C21H30N2O.C20H32N2O2S.4H2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-10-21(25-22(27)18-8-9-18)19-6-4-5-7-20(19)24;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;1-16(2)9-13-23-14-11-21(12-15-23)10-8-20(22-17(3)24)18-6-4-5-7-19(18)21;1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20;;;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,27);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);4-7,9,20H,8,10-15H2,1-3H3,(H,22,24);4-7,16,19,21H,8-15H2,1-3H3;4*1H/t21-;19-;;19-;;;;/m00.0..../s1
InChIKeyNJJFUXPBNIBYFW-NIAGLNDZSA-N
MW1426.15 g/mol
LogP16.15
Rot. Bonds17

About 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

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 (PubChem CID 159797589) has the molecular formula C86H136N8O7S and a molecular weight of 1426.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID159797589
Molecular FormulaC86H136N8O7S
Molecular Weight1426.15 g/mol
Exact Mass1425.03
IUPAC NameN-[(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
SMILESCC(=O)NC1CCC2(CCN(CC=C(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.COC(=O)CCCN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H36N2O.C21H30N2O3.C21H30N2O.C20H32N2O2S.4H2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-10-21(25-22(27)18-8-9-18)19-6-4-5-7-20(19)24;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;1-16(2)9-13-23-14-11-21(12-15-23)10-8-20(22-17(3)24)18-6-4-5-7-19(18)21;1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20;;;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,27);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);4-7,9,20H,8,10-15H2,1-3H3,(H,22,24);4-7,16,19,21H,8-15H2,1-3H3;4*1H/t21-;19-;;19-;;;;/m00.0..../s1
InChIKeyNJJFUXPBNIBYFW-NIAGLNDZSA-N
XLogP16.15
TPSA172.73 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001426.15
LogP ≤ 516.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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]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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC1CCC2(CCN(CC=C(C)C)CC2)c2ccccc21.CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CC(C)CCN1CCC2(CC[C@H](NS(C)(=O)=O)c3ccccc32)CC1.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]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?
The InChIKey is NJJFUXPBNIBYFW-NIAGLNDZSA-N. The full InChI is InChI=1S/C24H36N2O.C21H30N2O3.C21H30N2O.C20H32N2O2S.4H2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-10-21(25-22(27)18-8-9-18)19-6-4-5-7-20(19)24;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;1-16(2)9-13-23-14-11-21(12-15-23)10-8-20(22-17(3)24)18-6-4-5-7-19(18)21;1-16(2)9-13-22-14-11-20(12-15-22)10-8-19(21-25(3,23)24)17-6-4-5-7-18(17)20;;;;/h4-7,18,21H,8-17H2,1-3H3,(H,25,27);3-4,6-7,19H,5,8-15H2,1-2H3,(H,22,24);4-7,9,20H,8,10-15H2,1-3H3,(H,22,24);4-7,16,19,21H,8-15H2,1-3H3;4*1H/t21-;19-;;19-;;;;/m00.0..../s1.
What are the key properties of 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?
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 has a molecular weight of 1426.15 g/mol, XLogP of 16.15, 17 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]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 is sourced from PubChem (CID 159797589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).