9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one

C19H20FN3O3 — CID 131657226

IUPAC9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)CC12CCN(C(=O)c1ccco1)C2
InChIInChI=1S/C19H20FN3O3/c1-21-11-17(24)23(15-5-2-4-14(20)10-15)13-19(21)7-8-22(12-19)18(25)16-6-3-9-26-16/h2-6,9-10H,7-8,11-13H2,1H3
InChIKeyKQWMZYWXAHDTCP-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.98
Rot. Bonds2

About 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one

9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131657226) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131657226
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)CC12CCN(C(=O)c1ccco1)C2
InChIInChI=1S/C19H20FN3O3/c1-21-11-17(24)23(15-5-2-4-14(20)10-15)13-19(21)7-8-22(12-19)18(25)16-6-3-9-26-16/h2-6,9-10H,7-8,11-13H2,1H3
InChIKeyKQWMZYWXAHDTCP-UHFFFAOYSA-N
XLogP1.98
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-carbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155862799
(5R)-9-(3-fluorophenyl)-6-methyl-2-(naphthalene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373560
(5R)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373555
2-(furan-2-carbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155849366
9-(3-fluorophenyl)-6-methyl-2-(5-methyl-1,2-oxazole-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155835268
9-(3-fluorophenyl)-2-(2-methoxyacetyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155854451
(5R)-9-(3-fluorophenyl)-2-(furan-3-ylmethyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373508
(5R)-2-[2-(3-fluorophenyl)acetyl]-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373640
(5S)-9-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373517
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
2-benzylsulfonyl-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131647756
(5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373562

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131657226) is 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccc(F)c2)CC12CCN(C(=O)c1ccco1)C2.
What is the InChIKey of 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is KQWMZYWXAHDTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-21-11-17(24)23(15-5-2-4-14(20)10-15)13-19(21)7-8-22(12-19)18(25)16-6-3-9-26-16/h2-6,9-10H,7-8,11-13H2,1H3.
What are the key properties of 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one?
9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 357.38 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-2-(furan-2-carbonyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131657226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).