8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C21H25FN4O — CID 130201419

IUPAC8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncccc1F)C(=O)N2
InChIInChI=1S/C21H25FN4O/c1-25(2)21(16-7-4-3-5-8-16)12-10-20(11-13-21)15-26(19(27)24-20)18-17(22)9-6-14-23-18/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyORRGYHDMSNLKKO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.52
Rot. Bonds3

About 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201419) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201419
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncccc1F)C(=O)N2
InChIInChI=1S/C21H25FN4O/c1-25(2)21(16-7-4-3-5-8-16)12-10-20(11-13-21)15-26(19(27)24-20)18-17(22)9-6-14-23-18/h3-9,14H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyORRGYHDMSNLKKO-UHFFFAOYSA-N
XLogP3.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201419) is 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncccc1F)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ORRGYHDMSNLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-25(2)21(16-7-4-3-5-8-16)12-10-20(11-13-21)15-26(19(27)24-20)18-17(22)9-6-14-23-18/h3-9,14H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 368.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(3-fluoro-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).