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

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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).