1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea

C15H26FN3O — CID 167848185

IUPAC1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea
SMILESO=C(NCC1CCC(F)CC1)NC1CCNC12CCC2
InChIInChI=1S/C15H26FN3O/c16-12-4-2-11(3-5-12)10-17-14(20)19-13-6-9-18-15(13)7-1-8-15/h11-13,18H,1-10H2,(H2,17,19,20)
InChIKeyMXRZYGVCAKGHHM-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.10
Rot. Bonds3

About 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea

1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea (PubChem CID 167848185) has the molecular formula C15H26FN3O and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea
PubChem CID167848185
Molecular FormulaC15H26FN3O
Molecular Weight283.39 g/mol
Exact Mass283.21
IUPAC Name1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea
SMILESO=C(NCC1CCC(F)CC1)NC1CCNC12CCC2
InChIInChI=1S/C15H26FN3O/c16-12-4-2-11(3-5-12)10-17-14(20)19-13-6-9-18-15(13)7-1-8-15/h11-13,18H,1-10H2,(H2,17,19,20)
InChIKeyMXRZYGVCAKGHHM-UHFFFAOYSA-N
XLogP2.10
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea with MolForge

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Related Compounds

8,8-Difluoro-1,3-diazaspiro[4.5]decan-2-one
CID 124169396
1-((4,4-Difluorocyclohexyl)methyl)imidazolidin-2-one
CID 139389018
1-(4-Methylcyclohexyl)imidazolidin-2-one
CID 580442
(3S)-N-ethyl-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide
CID 99627722
(3S)-N-ethyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide
CID 99627727
N-ethyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide
CID 121520127
(3S)-N-ethyl-3-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide
CID 129429906
(3S)-N-ethyl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidine-1-carboxamide
CID 129429907
1-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]-3-[[1-(methylamino)cyclohexyl]methyl]urea
CID 138005936
(1R,5S)-1-amino-N-[(4,4-difluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016483
(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016529
1,3-Diazaspiro[4.5]decan-2-one
CID 10214405

Frequently Asked Questions

What is the IUPAC name of 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea?
The IUPAC name of 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea (CID 167848185) is 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea.
What is the SMILES notation for 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea?
The canonical SMILES for 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea is O=C(NCC1CCC(F)CC1)NC1CCNC12CCC2.
What is the InChIKey of 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea?
The InChIKey is MXRZYGVCAKGHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O/c16-12-4-2-11(3-5-12)10-17-14(20)19-13-6-9-18-15(13)7-1-8-15/h11-13,18H,1-10H2,(H2,17,19,20).
What are the key properties of 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea?
1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea has a molecular weight of 283.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[3.4]octan-8-yl)-3-[(4-fluorocyclohexyl)methyl]urea is sourced from PubChem (CID 167848185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).