5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one

C23H32FN3O2 — CID 137407647

IUPAC5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C23H32FN3O2/c1-25(2)23(19-4-3-5-20(24)10-19)14-22(15-23)16-26(9-8-18-12-29-13-18)21(28)27(22)11-17-6-7-17/h3-5,10,17-18H,6-9,11-16H2,1-2H3
InChIKeySJXAKHTXBBQXBH-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.30
Rot. Bonds7

About 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407647) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407647
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C23H32FN3O2/c1-25(2)23(19-4-3-5-20(24)10-19)14-22(15-23)16-26(9-8-18-12-29-13-18)21(28)27(22)11-17-6-7-17/h3-5,10,17-18H,6-9,11-16H2,1-2H3
InChIKeySJXAKHTXBBQXBH-UHFFFAOYSA-N
XLogP3.30
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-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

US10738015, Example SC-33
CID 137407618
US10738015, Example SC-44
CID 137407635
US10738015, Example SC-37
CID 137407637
US10738015, Example SC-42
CID 137407689
US10793556, Example SC_4007
CID 130202900
US10738015, Example SC-45
CID 137407671
US10738015, Example SC-46
CID 137407714
3-[1-(Cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal
CID 130214726
5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-5,7-diazaspiro[3.4]octan-6-one
CID 137407722
5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-ol
CID 137413945
5-(Cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-propyl-5,7-diazaspiro[3.4]octan-6-one
CID 145766249
1-(Cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 146416543

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one (CID 137407647) is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(CCC3COC3)C(=O)N2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is SJXAKHTXBBQXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-25(2)23(19-4-3-5-20(24)10-19)14-22(15-23)16-26(9-8-18-12-29-13-18)21(28)27(22)11-17-6-7-17/h3-5,10,17-18H,6-9,11-16H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one?
5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[2-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 401.53 g/mol, XLogP of 3.30, 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-(oxetan-3-yl)ethyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).