1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one

C23H34FN3O2 — CID 146416543

IUPAC1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(CCO)C(=O)N2CC1CCC1
InChIInChI=1S/C23H34FN3O2/c1-25(2)23(19-6-8-20(24)9-7-19)12-10-22(11-13-23)17-26(14-15-28)21(29)27(22)16-18-4-3-5-18/h6-9,18,28H,3-5,10-17H2,1-2H3
InChIKeySPRAUSXRQWCFNF-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.43
Rot. Bonds6

About 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 146416543) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID146416543
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(CCO)C(=O)N2CC1CCC1
InChIInChI=1S/C23H34FN3O2/c1-25(2)23(19-6-8-20(24)9-7-19)12-10-22(11-13-23)17-26(14-15-28)21(29)27(22)16-18-4-3-5-18/h6-9,18,28H,3-5,10-17H2,1-2H3
InChIKeySPRAUSXRQWCFNF-UHFFFAOYSA-N
XLogP3.43
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 146416543) is 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(CCO)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SPRAUSXRQWCFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-25(2)23(19-6-8-20(24)9-7-19)12-10-22(11-13-23)17-26(14-15-28)21(29)27(22)16-18-4-3-5-18/h6-9,18,28H,3-5,10-17H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 403.54 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-8-(4-fluorophenyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 146416543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).