8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one

C21H30FN3O2 — CID 130200657

IUPAC8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CNC(=O)N2CC1(O)CCC1
InChIInChI=1S/C21H30FN3O2/c1-24(2)21(16-5-3-6-17(22)13-16)11-9-19(10-12-21)14-23-18(26)25(19)15-20(27)7-4-8-20/h3,5-6,13,27H,4,7-12,14-15H2,1-2H3,(H,23,26)
InChIKeyUIJPVGKIXCWNMB-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.84
Rot. Bonds4

About 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200657) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200657
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2cccc(F)c2)CCC2(CC1)CNC(=O)N2CC1(O)CCC1
InChIInChI=1S/C21H30FN3O2/c1-24(2)21(16-5-3-6-17(22)13-16)11-9-19(10-12-21)14-23-18(26)25(19)15-20(27)7-4-8-20/h3,5-6,13,27H,4,7-12,14-15H2,1-2H3,(H,23,26)
InChIKeyUIJPVGKIXCWNMB-UHFFFAOYSA-N
XLogP2.84
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one (CID 130200657) is 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CNC(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UIJPVGKIXCWNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-24(2)21(16-5-3-6-17(22)13-16)11-9-19(10-12-21)14-23-18(26)25(19)15-20(27)7-4-8-20/h3,5-6,13,27H,4,7-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 375.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).