5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one

C23H32FN3O2 — CID 137407689

IUPAC5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CC3(O)CCC3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C23H32FN3O2/c1-25(2)23(18-5-3-6-19(24)11-18)13-21(14-23)15-26(16-22(29)9-4-10-22)20(28)27(21)12-17-7-8-17/h3,5-6,11,17,29H,4,7-10,12-16H2,1-2H3
InChIKeyPWSBFZMKZJKVME-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.18
Rot. Bonds6

About 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407689) 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-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407689
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(CC3(O)CCC3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C23H32FN3O2/c1-25(2)23(18-5-3-6-19(24)11-18)13-21(14-23)15-26(16-22(29)9-4-10-22)20(28)27(21)12-17-7-8-17/h3,5-6,11,17,29H,4,7-10,12-16H2,1-2H3
InChIKeyPWSBFZMKZJKVME-UHFFFAOYSA-N
XLogP3.18
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

US10738015, Example SC-33
CID 137407618
US10738015, Example SC-44
CID 137407635
US10738015, Example SC-37
CID 137407637
US10738015, Example SC-47
CID 137407647
US10829480, Example SC_2177
CID 130202392
US10829480, Example SC_2174
CID 130202427
US10829480, Example SC_2124
CID 130202491
US10738015, Example SC-46
CID 137407714
8-(Dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130200657
1-(Cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202973
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

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one (CID 137407689) is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(CC3(O)CCC3)C(=O)N2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is PWSBFZMKZJKVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c1-25(2)23(18-5-3-6-19(24)11-18)13-21(14-23)15-26(16-22(29)9-4-10-22)20(28)27(21)12-17-7-8-17/h3,5-6,11,17,29H,4,7-10,12-16H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one?
5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 401.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 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-[(1-hydroxycyclobutyl)methyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).