2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

C66H105N7O4 — CID 162084755

IUPAC2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
SMILESCC(C)CCN1CCC2(CC1)C[C@H](NC(=O)C1CC1)c1ccccc12.CC/C=C\CCCCCCN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.CCNC(=O)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H38N2O.C22H32N2O.C19H27N3O2.4H2/c1-3-4-5-6-7-8-9-12-17-27-18-15-25(16-19-27)20-24(26-21(2)28)22-13-10-11-14-23(22)25;1-16(2)9-12-24-13-10-22(11-14-24)15-20(23-21(25)17-7-8-17)18-5-3-4-6-19(18)22;1-3-20-18(24)13-22-10-8-19(9-11-22)12-17(21-14(2)23)15-6-4-5-7-16(15)19;;;;/h4-5,10-11,13-14,24H,3,6-9,12,15-20H2,1-2H3,(H,26,28);3-6,16-17,20H,7-15H2,1-2H3,(H,23,25);4-7,17H,3,8-13H2,1-2H3,(H,20,24)(H,21,23);4*1H/b5-4-;;;;;;/t24-;20-;17-;;;;/m000..../s1
InChIKeyZCUUCSXXBHSVOB-WQVXTZPVSA-N
MW1060.61 g/mol
LogP12.28
Rot. Bonds18

About 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen

2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (PubChem CID 162084755) has the molecular formula C66H105N7O4 and a molecular weight of 1060.61 g/mol. Its IUPAC name is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
PubChem CID162084755
Molecular FormulaC66H105N7O4
Molecular Weight1060.61 g/mol
Exact Mass1059.82
IUPAC Name2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
SMILESCC(C)CCN1CCC2(CC1)C[C@H](NC(=O)C1CC1)c1ccccc12.CC/C=C\CCCCCCN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.CCNC(=O)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H38N2O.C22H32N2O.C19H27N3O2.4H2/c1-3-4-5-6-7-8-9-12-17-27-18-15-25(16-19-27)20-24(26-21(2)28)22-13-10-11-14-23(22)25;1-16(2)9-12-24-13-10-22(11-14-24)15-20(23-21(25)17-7-8-17)18-5-3-4-6-19(18)22;1-3-20-18(24)13-22-10-8-19(9-11-22)12-17(21-14(2)23)15-6-4-5-7-16(15)19;;;;/h4-5,10-11,13-14,24H,3,6-9,12,15-20H2,1-2H3,(H,26,28);3-6,16-17,20H,7-15H2,1-2H3,(H,23,25);4-7,17H,3,8-13H2,1-2H3,(H,20,24)(H,21,23);4*1H/b5-4-;;;;;;/t24-;20-;17-;;;;/m000..../s1
InChIKeyZCUUCSXXBHSVOB-WQVXTZPVSA-N
XLogP12.28
TPSA126.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.61
LogP ≤ 512.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen with MolForge

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Related Compounds

1,1-dimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;molecular hydrogen
CID 157245167
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
tert-butyl (1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]methanesulfonamide;N-[(1S)-1'-(2,6-dimethylhept-5-enyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 158405815
tert-butyl (1S)-1-(propanoylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;N-[(1S)-1'-(4-cyano-2,2-diethylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;N-[(1S)-1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen
CID 160544853
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
4-[(1S)-1-ethylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]-2,2-dimethyl-N-[1'-(3-methylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]butanamide
CID 147446010
N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433181
N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 97400190
molecular hydrogen;N-[(1S)-1'-(4-propylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 162094344

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen (CID 162084755) is 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is CC(C)CCN1CCC2(CC1)C[C@H](NC(=O)C1CC1)c1ccccc12.CC/C=C\CCCCCCN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.CCNC(=O)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is ZCUUCSXXBHSVOB-WQVXTZPVSA-N. The full InChI is InChI=1S/C25H38N2O.C22H32N2O.C19H27N3O2.4H2/c1-3-4-5-6-7-8-9-12-17-27-18-15-25(16-19-27)20-24(26-21(2)28)22-13-10-11-14-23(22)25;1-16(2)9-12-24-13-10-22(11-14-24)15-20(23-21(25)17-7-8-17)18-5-3-4-6-19(18)22;1-3-20-18(24)13-22-10-8-19(9-11-22)12-17(21-14(2)23)15-6-4-5-7-16(15)19;;;;/h4-5,10-11,13-14,24H,3,6-9,12,15-20H2,1-2H3,(H,26,28);3-6,16-17,20H,7-15H2,1-2H3,(H,23,25);4-7,17H,3,8-13H2,1-2H3,(H,20,24)(H,21,23);4*1H/b5-4-;;;;;;/t24-;20-;17-;;;;/m000..../s1.
What are the key properties of 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen?
2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 1060.61 g/mol, XLogP of 12.28, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-acetamidospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-N-ethylacetamide;N-[(1S)-1'-[(Z)-dec-7-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 162084755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).