8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C18H24FN3O2 — CID 155880152

IUPAC8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(CN2C(=O)CCC23CCN(C(=O)CCF)CC3)n1
InChIInChI=1S/C18H24FN3O2/c1-14-3-2-4-15(20-14)13-22-17(24)5-7-18(22)8-11-21(12-9-18)16(23)6-10-19/h2-4H,5-13H2,1H3
InChIKeyALJBJCQENCWCDL-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.23
Rot. Bonds4

About 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one

8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 155880152) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID155880152
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(CN2C(=O)CCC23CCN(C(=O)CCF)CC3)n1
InChIInChI=1S/C18H24FN3O2/c1-14-3-2-4-15(20-14)13-22-17(24)5-7-18(22)8-11-21(12-9-18)16(23)6-10-19/h2-4H,5-13H2,1H3
InChIKeyALJBJCQENCWCDL-UHFFFAOYSA-N
XLogP2.23
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

1-[(6-methyl-2-pyridinyl)methyl]-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742482
1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97493960
8-(5-fluoropyrimidin-2-yl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744025
1-[(6-methyl-2-pyridinyl)methyl]-8-[(1-methylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 118746303
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 131658447
1-[(3-fluorophenyl)methyl]-8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131691590
9-(2-cyclopropylacetyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98897514
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 67564699
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155841882

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 155880152) is 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is Cc1cccc(CN2C(=O)CCC23CCN(C(=O)CCF)CC3)n1.
What is the InChIKey of 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ALJBJCQENCWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-14-3-2-4-15(20-14)13-22-17(24)5-7-18(22)8-11-21(12-9-18)16(23)6-10-19/h2-4H,5-13H2,1H3.
What are the key properties of 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 333.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155880152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).