3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea

C16H26FN3O2 — CID 131684927

IUPAC3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CC12CCN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C16H26FN3O2/c1-19(2)14(22)18-11-12-10-15(12)6-8-20(9-7-15)13(21)16(17)4-3-5-16/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyORLDNUJPJVFBIM-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.78
Rot. Bonds3

About 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea

3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea (PubChem CID 131684927) has the molecular formula C16H26FN3O2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea
PubChem CID131684927
Molecular FormulaC16H26FN3O2
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1CC12CCN(C(=O)C1(F)CCC1)CC2
InChIInChI=1S/C16H26FN3O2/c1-19(2)14(22)18-11-12-10-15(12)6-8-20(9-7-15)13(21)16(17)4-3-5-16/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyORLDNUJPJVFBIM-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea with MolForge

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Related Compounds

(3R,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 11912550
(5S)-N-(2-cyclobutyl-2-methylpropyl)-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 164633869
1-tert-butyl-N-[[1-(3,3-dimethylbutyl)-4-fluoropiperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 59455792
3-[7-(1-Fluorocyclobutanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 131685947
3-[7-(3,3-Difluorocyclobutanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 131686916
3-[7-(1-Fluorocyclopropanecarbonyl)-7-azaspiro[3.5]nonan-2-yl]-1,1-dimethylurea
CID 131686917
5-(3-cyclobutylpropyl)-N-(3-ethylpentyl)-5-azaspiro[2.5]octane-8-carboxamide
CID 155184685
3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 56795277
N-(cyclobutylmethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 64069410
1-(cyclopropanecarbonyl)-N-[(1-ethylcyclobutyl)methyl]piperidine-3-carboxamide
CID 71923034
4-(2-amino-2-oxoethyl)-N-(5,5-dimethylhexan-2-yl)piperidine-1-carboxamide
CID 72008657
4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 73139415

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea (CID 131684927) is 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea is CN(C)C(=O)NCC1CC12CCN(C(=O)C1(F)CCC1)CC2.
What is the InChIKey of 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea?
The InChIKey is ORLDNUJPJVFBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2/c1-19(2)14(22)18-11-12-10-15(12)6-8-20(9-7-15)13(21)16(17)4-3-5-16/h12H,3-11H2,1-2H3,(H,18,22).
What are the key properties of 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea?
3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea has a molecular weight of 311.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1-fluorocyclobutanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 131684927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).