1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one

C22H32FN3O3 — CID 135334522

IUPAC1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)N1C(=O)N(CC2(O)CCOCC2)CC12CCC(c1cccc(F)c1)CC2
InChIInChI=1S/C22H32FN3O3/c1-24(2)26-20(27)25(16-22(28)10-12-29-13-11-22)15-21(26)8-6-17(7-9-21)18-4-3-5-19(23)14-18/h3-5,14,17,28H,6-13,15-16H2,1-2H3
InChIKeyTZLOKQJUWFKEQK-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.98
Rot. Bonds4

About 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one

1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 135334522) has the molecular formula C22H32FN3O3 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID135334522
Molecular FormulaC22H32FN3O3
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC Name1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)N1C(=O)N(CC2(O)CCOCC2)CC12CCC(c1cccc(F)c1)CC2
InChIInChI=1S/C22H32FN3O3/c1-24(2)26-20(27)25(16-22(28)10-12-29-13-11-22)15-21(26)8-6-17(7-9-21)18-4-3-5-19(23)14-18/h3-5,14,17,28H,6-13,15-16H2,1-2H3
InChIKeyTZLOKQJUWFKEQK-UHFFFAOYSA-N
XLogP2.98
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(Dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202960
1-(Cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
CID 130202973
8-(Dimethylamino)-8-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-ol
CID 138512700
1-(Cyclobutylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202877
8-(Dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-ylmethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202883
1-(Cyclopropylmethyl)-8-(dimethylamino)-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202948
8-(Dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130202958
4-Amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 135334519
3-(Dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 140797736
1-[(1-Hydroxycyclobutyl)methyl]-4-(methylamino)-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 140916860
3-(Dimethylamino)-1-[2-(1-methoxycyclobutyl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 152175843
8-Amino-1-(cyclobutylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]-4,4-dimethyl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 155409791

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one (CID 135334522) is 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)N1C(=O)N(CC2(O)CCOCC2)CC12CCC(c1cccc(F)c1)CC2.
What is the InChIKey of 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is TZLOKQJUWFKEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O3/c1-24(2)26-20(27)25(16-22(28)10-12-29-13-11-22)15-21(26)8-6-17(7-9-21)18-4-3-5-19(23)14-18/h3-5,14,17,28H,6-13,15-16H2,1-2H3.
What are the key properties of 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?
1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 405.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-8-(3-fluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135334522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).