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

C91H137N9O7 — CID 160544853

IUPACtert-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
SMILESCC(C)CCN1CCC2(CC1)C[C@H](NC(=O)c1ccoc1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CCC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CCC(CC)(CCC#N)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H35N3O.C23H30N2O2.C23H34N2O.C21H30N2O3.4H2/c1-4-23(5-2,11-8-14-25)18-27-15-12-24(13-16-27)17-22(26-19(3)28)20-9-6-7-10-21(20)24;1-17(2)7-11-25-12-9-23(10-13-25)15-21(19-5-3-4-6-20(19)23)24-22(26)18-8-14-27-16-18;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-5-18(24)22-17-14-21(16-9-7-6-8-15(16)17)10-12-23(13-11-21)19(25)26-20(2,3)4;;;;/h6-7,9-10,22H,4-5,8,11-13,15-18H2,1-3H3,(H,26,28);3-6,8,14,16-17,21H,7,9-13,15H2,1-2H3,(H,24,26);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);6-9,17H,5,10-14H2,1-4H3,(H,22,24);4*1H/t22-;2*21-;17-;;;;/m0000..../s1
InChIKeyQXHCDQBUZBEGQI-IYKSATMPSA-N
MW1469.15 g/mol
LogP18.58
Rot. Bonds19

About 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

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 (PubChem CID 160544853) has the molecular formula C91H137N9O7 and a molecular weight of 1469.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID160544853
Molecular FormulaC91H137N9O7
Molecular Weight1469.15 g/mol
Exact Mass1468.06
IUPAC Nametert-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
SMILESCC(C)CCN1CCC2(CC1)C[C@H](NC(=O)c1ccoc1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CCC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CCC(CC)(CCC#N)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H35N3O.C23H30N2O2.C23H34N2O.C21H30N2O3.4H2/c1-4-23(5-2,11-8-14-25)18-27-15-12-24(13-16-27)17-22(26-19(3)28)20-9-6-7-10-21(20)24;1-17(2)7-11-25-12-9-23(10-13-25)15-21(19-5-3-4-6-20(19)23)24-22(26)18-8-14-27-16-18;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-5-18(24)22-17-14-21(16-9-7-6-8-15(16)17)10-12-23(13-11-21)19(25)26-20(2,3)4;;;;/h6-7,9-10,22H,4-5,8,11-13,15-18H2,1-3H3,(H,26,28);3-6,8,14,16-17,21H,7,9-13,15H2,1-2H3,(H,24,26);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);6-9,17H,5,10-14H2,1-4H3,(H,22,24);4*1H/t22-;2*21-;17-;;;;/m0000..../s1
InChIKeyQXHCDQBUZBEGQI-IYKSATMPSA-N
XLogP18.58
TPSA192.59 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.15
LogP ≤ 518.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
1,1-dimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;molecular hydrogen
CID 157245167
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
tert-butyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433503
tert-butyl (1S)-1-[[(1S)-1-phenylethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;molecular hydrogen
CID 161257247
N-[(1S)-1'-cyclohexylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-3-carboxamide;molecular hydrogen
CID 157250724
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxolane-2-carboxamide;molecular hydrogen
CID 162068259
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCN1CCC2(CC1)C[C@H](NC(=O)c1ccoc1)c1ccccc12.CC(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccccc32)CC1.CCC(=O)N[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21.CCC(CC)(CCC#N)CN1CCC2(CC1)C[C@H](NC(C)=O)c1ccccc12.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is QXHCDQBUZBEGQI-IYKSATMPSA-N. The full InChI is InChI=1S/C24H35N3O.C23H30N2O2.C23H34N2O.C21H30N2O3.4H2/c1-4-23(5-2,11-8-14-25)18-27-15-12-24(13-16-27)17-22(26-19(3)28)20-9-6-7-10-21(20)24;1-17(2)7-11-25-12-9-23(10-13-25)15-21(19-5-3-4-6-20(19)23)24-22(26)18-8-14-27-16-18;1-17(2)10-14-25-15-12-23(13-16-25)11-9-21(24-22(26)18-7-8-18)19-5-3-4-6-20(19)23;1-5-18(24)22-17-14-21(16-9-7-6-8-15(16)17)10-12-23(13-11-21)19(25)26-20(2,3)4;;;;/h6-7,9-10,22H,4-5,8,11-13,15-18H2,1-3H3,(H,26,28);3-6,8,14,16-17,21H,7,9-13,15H2,1-2H3,(H,24,26);3-6,17-18,21H,7-16H2,1-2H3,(H,24,26);6-9,17H,5,10-14H2,1-4H3,(H,22,24);4*1H/t22-;2*21-;17-;;;;/m0000..../s1.
What are the key properties of 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?
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 has a molecular weight of 1469.15 g/mol, XLogP of 18.58, 19 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160544853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).