1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea

C26H37N3O — CID 58815650

IUPAC1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
SMILESCN(C)C(=O)N[C@H]1CCC2(CCN([C@@H]3C[C@@H]4CCC5CC54C3)CC2)c2ccccc21
InChIInChI=1S/C26H37N3O/c1-28(2)24(30)27-23-9-10-25(22-6-4-3-5-21(22)23)11-13-29(14-12-25)20-15-18-7-8-19-16-26(18,19)17-20/h3-6,18-20,23H,7-17H2,1-2H3,(H,27,30)/t18-,19?,20+,23-,26?/m0/s1
InChIKeyOZIXDPOJINTXPH-ZEXCQICRSA-N
MW407.60 g/mol
LogP4.70
Rot. Bonds2

About 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea

1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea (PubChem CID 58815650) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
PubChem CID58815650
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
SMILESCN(C)C(=O)N[C@H]1CCC2(CCN([C@@H]3C[C@@H]4CCC5CC54C3)CC2)c2ccccc21
InChIInChI=1S/C26H37N3O/c1-28(2)24(30)27-23-9-10-25(22-6-4-3-5-21(22)23)11-13-29(14-12-25)20-15-18-7-8-19-16-26(18,19)17-20/h3-6,18-20,23H,7-17H2,1-2H3,(H,27,30)/t18-,19?,20+,23-,26?/m0/s1
InChIKeyOZIXDPOJINTXPH-ZEXCQICRSA-N
XLogP4.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea with MolForge

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Related Compounds

3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 58815698
3-[(1R)-1'-[2-(2,2-dimethylpropanoyl)-2-azatricyclo[4.3.0.01,3]nonan-8-yl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 58815657
1,1-dimethyl-3-[(1R)-1'-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea
CID 58815809
methyl 4-[(1R)-1-(dimethylcarbamoylamino)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate;molecular hydrogen
CID 160602554
N-[(1S)-1'-(4-bicyclo[5.2.1]decanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
CID 58815775
1,1-dimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;molecular hydrogen
CID 157245167
3-[(1S)-1'-[[(2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-dimethylurea
CID 59614184
N-(1'-cycloheptylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide;molecular hydrogen
CID 161073343
3-[(1S)-1'-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,1-di(propan-2-yl)urea
CID 59614249
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488
ethyl 4-[1-[di(propan-2-yl)carbamoylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 58815543

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea (CID 58815650) is 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea is CN(C)C(=O)N[C@H]1CCC2(CCN([C@@H]3C[C@@H]4CCC5CC54C3)CC2)c2ccccc21.
What is the InChIKey of 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea?
The InChIKey is OZIXDPOJINTXPH-ZEXCQICRSA-N. The full InChI is InChI=1S/C26H37N3O/c1-28(2)24(30)27-23-9-10-25(22-6-4-3-5-21(22)23)11-13-29(14-12-25)20-15-18-7-8-19-16-26(18,19)17-20/h3-6,18-20,23H,7-17H2,1-2H3,(H,27,30)/t18-,19?,20+,23-,26?/m0/s1.
What are the key properties of 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea?
1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea has a molecular weight of 407.60 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(1S)-1'-[(6S,8R)-8-tricyclo[4.3.0.01,3]nonanyl]spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]urea is sourced from PubChem (CID 58815650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).