3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea

C25H37N3O — CID 58815698

IUPAC3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@H]1CCC2(CCN(C3CC4CCC(C4)C3)CC2)c2ccccc21
InChIInChI=1S/C25H37N3O/c1-27(2)24(29)26-23-9-10-25(22-6-4-3-5-21(22)23)11-13-28(14-12-25)20-16-18-7-8-19(15-18)17-20/h3-6,18-20,23H,7-17H2,1-2H3,(H,26,29)/t18?,19?,20?,23-/m0/s1
InChIKeySYNRWFGVGWCIHD-ZNHUPSQZSA-N
MW395.59 g/mol
LogP4.70
Rot. Bonds2

About 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea

3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea (PubChem CID 58815698) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
PubChem CID58815698
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)N[C@H]1CCC2(CCN(C3CC4CCC(C4)C3)CC2)c2ccccc21
InChIInChI=1S/C25H37N3O/c1-27(2)24(29)26-23-9-10-25(22-6-4-3-5-21(22)23)11-13-28(14-12-25)20-16-18-7-8-19(15-18)17-20/h3-6,18-20,23H,7-17H2,1-2H3,(H,26,29)/t18?,19?,20?,23-/m0/s1
InChIKeySYNRWFGVGWCIHD-ZNHUPSQZSA-N
XLogP4.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea with MolForge

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Related Compounds

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
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
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
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
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-[(1R)-1'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433560
N-[(1S)-1'-[(1R,2S)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 71177426
1,1-dimethyl-3-[(1S)-1'-(3-methylbutyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]urea;molecular hydrogen
CID 157245167
N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70957798
N-[(1S)-1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 158496894
ethyl 4-[(1S)-1-acetamidospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl]piperidine-1-carboxylate
CID 59433488

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The IUPAC name of 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) is 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea is CN(C)C(=O)N[C@H]1CCC2(CCN(C3CC4CCC(C4)C3)CC2)c2ccccc21.
What is the InChIKey of 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
The InChIKey is SYNRWFGVGWCIHD-ZNHUPSQZSA-N. The full InChI is InChI=1S/C25H37N3O/c1-27(2)24(29)26-23-9-10-25(22-6-4-3-5-21(22)23)11-13-28(14-12-25)20-16-18-7-8-19(15-18)17-20/h3-6,18-20,23H,7-17H2,1-2H3,(H,26,29)/t18?,19?,20?,23-/m0/s1.
What are the key properties of 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea?
3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea has a molecular weight of 395.59 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 3-[(1S)-1'-(3-bicyclo[3.2.1]octanyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1,1-dimethylurea is sourced from PubChem (CID 58815698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).