5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one

C23H34FN3O2 — CID 137407637

IUPAC5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one
SMILESCOC(C)(C)CN1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O
InChIInChI=1S/C23H34FN3O2/c1-21(2,29-5)15-26-16-22(27(20(26)28)12-17-9-10-17)13-23(14-22,25(3)4)18-7-6-8-19(24)11-18/h6-8,11,17H,9-10,12-16H2,1-5H3
InChIKeyXEXOFSSYIATJDD-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.69
Rot. Bonds7

About 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407637) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407637
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one
SMILESCOC(C)(C)CN1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O
InChIInChI=1S/C23H34FN3O2/c1-21(2,29-5)15-26-16-22(27(20(26)28)12-17-9-10-17)13-23(14-22,25(3)4)18-7-6-8-19(24)11-18/h6-8,11,17H,9-10,12-16H2,1-5H3
InChIKeyXEXOFSSYIATJDD-UHFFFAOYSA-N
XLogP3.69
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10807989, Example SC_1346
CID 130200550
US10738015, Example SC-33
CID 137407618
US10738015, Example SC-44
CID 137407635
US10738015, Example SC-47
CID 137407647
US10738015, Example SC-42
CID 137407689
US10793556, Example SC_4007
CID 130202900
US10793556, Example SC_4006
CID 130202920
US10793556, Example SC_4003
CID 130202930
US10793556, Example SC_4008
CID 130202949
US10738015, Example SC-45
CID 137407671
US10738015, Example SC-46
CID 137407714
1-[(4-Fluorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
CID 87852936

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one (CID 137407637) is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one is COC(C)(C)CN1CC2(CC(c3cccc(F)c3)(N(C)C)C2)N(CC2CC2)C1=O.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is XEXOFSSYIATJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-21(2,29-5)15-26-16-22(27(20(26)28)12-17-9-10-17)13-23(14-22,25(3)4)18-7-6-8-19(24)11-18/h6-8,11,17H,9-10,12-16H2,1-5H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one?
5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 403.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-(2-methoxy-2-methylpropyl)-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).