3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

C88H145N9O4 — CID 159463755

IUPAC3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(CC(C)(C)C)N1CCC2(CC[C@H](NC(=O)N(C)C)c3ccccc32)CC1.CCC(=O)N[C@H]1CC2(CCN(CCC(C)C)CC2)c2ccccc21.CCC(CC)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CC[C@@H](C)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H39N3O.C22H34N2O.2C21H32N2O.4H2/c1-18(17-23(2,3)4)27-15-13-24(14-16-27)12-11-21(25-22(28)26(5)6)19-9-7-8-10-20(19)24;1-4-18(5-2)16-24-14-12-22(13-15-24)11-10-21(23-17(3)25)19-8-6-7-9-20(19)22;1-4-20(24)22-19-15-21(18-8-6-5-7-17(18)19)10-13-23(14-11-21)12-9-16(2)3;1-4-16(2)15-23-13-11-21(12-14-23)10-9-20(22-17(3)24)18-7-5-6-8-19(18)21;;;;/h7-10,18,21H,11-17H2,1-6H3,(H,25,28);6-9,18,21H,4-5,10-16H2,1-3H3,(H,23,25);5-8,16,19H,4,9-15H2,1-3H3,(H,22,24);5-8,16,20H,4,9-15H2,1-3H3,(H,22,24);4*1H/t18?,21-;21-;19-;16-,20+;;;;/m0001..../s1
InChIKeyLUXMEEBVZXWUKC-KUDLXSQJSA-N
MW1393.19 g/mol
LogP18.44
Rot. Bonds17

About 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen

3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 159463755) has the molecular formula C88H145N9O4 and a molecular weight of 1393.19 g/mol. Its IUPAC name is 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
PubChem CID159463755
Molecular FormulaC88H145N9O4
Molecular Weight1393.19 g/mol
Exact Mass1392.14
IUPAC Name3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
SMILESCC(CC(C)(C)C)N1CCC2(CC[C@H](NC(=O)N(C)C)c3ccccc32)CC1.CCC(=O)N[C@H]1CC2(CCN(CCC(C)C)CC2)c2ccccc21.CCC(CC)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CC[C@@H](C)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C24H39N3O.C22H34N2O.2C21H32N2O.4H2/c1-18(17-23(2,3)4)27-15-13-24(14-16-27)12-11-21(25-22(28)26(5)6)19-9-7-8-10-20(19)24;1-4-18(5-2)16-24-14-12-22(13-15-24)11-10-21(23-17(3)25)19-8-6-7-9-20(19)22;1-4-20(24)22-19-15-21(18-8-6-5-7-17(18)19)10-13-23(14-11-21)12-9-16(2)3;1-4-16(2)15-23-13-11-21(12-14-23)10-9-20(22-17(3)24)18-7-5-6-8-19(18)21;;;;/h7-10,18,21H,11-17H2,1-6H3,(H,25,28);6-9,18,21H,4-5,10-16H2,1-3H3,(H,23,25);5-8,16,19H,4,9-15H2,1-3H3,(H,22,24);5-8,16,20H,4,9-15H2,1-3H3,(H,22,24);4*1H/t18?,21-;21-;19-;16-,20+;;;;/m0001..../s1
InChIKeyLUXMEEBVZXWUKC-KUDLXSQJSA-N
XLogP18.44
TPSA132.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001393.19
LogP ≤ 518.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The IUPAC name of 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen (CID 159463755) is 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen.
What is the SMILES notation for 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The canonical SMILES for 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is CC(CC(C)(C)C)N1CCC2(CC[C@H](NC(=O)N(C)C)c3ccccc32)CC1.CCC(=O)N[C@H]1CC2(CCN(CCC(C)C)CC2)c2ccccc21.CCC(CC)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.CC[C@@H](C)CN1CCC2(CC[C@H](NC(C)=O)c3ccccc32)CC1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
The InChIKey is LUXMEEBVZXWUKC-KUDLXSQJSA-N. The full InChI is InChI=1S/C24H39N3O.C22H34N2O.2C21H32N2O.4H2/c1-18(17-23(2,3)4)27-15-13-24(14-16-27)12-11-21(25-22(28)26(5)6)19-9-7-8-10-20(19)24;1-4-18(5-2)16-24-14-12-22(13-15-24)11-10-21(23-17(3)25)19-8-6-7-9-20(19)22;1-4-20(24)22-19-15-21(18-8-6-5-7-17(18)19)10-13-23(14-11-21)12-9-16(2)3;1-4-16(2)15-23-13-11-21(12-14-23)10-9-20(22-17(3)24)18-7-5-6-8-19(18)21;;;;/h7-10,18,21H,11-17H2,1-6H3,(H,25,28);6-9,18,21H,4-5,10-16H2,1-3H3,(H,23,25);5-8,16,19H,4,9-15H2,1-3H3,(H,22,24);5-8,16,20H,4,9-15H2,1-3H3,(H,22,24);4*1H/t18?,21-;21-;19-;16-,20+;;;;/m0001..../s1.
What are the key properties of 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen?
3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 1393.19 g/mol, XLogP of 18.44, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1'-(4,4-dimethylpentan-2-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea;N-[(1S)-1'-(2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;N-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide;N-[(1S)-1'-[(2R)-2-methylbutyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 159463755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).