9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C20H32FN3O2 — CID 131679708

IUPAC9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC(CN2CCC3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)CC1
InChIInChI=1S/C20H32FN3O2/c1-22-11-4-16(5-12-22)14-23-13-9-19(17(23)25)6-3-10-24(15-19)18(26)20(21)7-2-8-20/h16H,2-15H2,1H3
InChIKeyMUVIVNKLHAUJBI-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.06
Rot. Bonds3

About 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131679708) has the molecular formula C20H32FN3O2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131679708
Molecular FormulaC20H32FN3O2
Molecular Weight365.49 g/mol
Exact Mass365.25
IUPAC Name9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC(CN2CCC3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)CC1
InChIInChI=1S/C20H32FN3O2/c1-22-11-4-16(5-12-22)14-23-13-9-19(17(23)25)6-3-10-24(15-19)18(26)20(21)7-2-8-20/h16H,2-15H2,1H3
InChIKeyMUVIVNKLHAUJBI-UHFFFAOYSA-N
XLogP2.06
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131679708) is 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is CN1CCC(CN2CCC3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)CC1.
What is the InChIKey of 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MUVIVNKLHAUJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O2/c1-22-11-4-16(5-12-22)14-23-13-9-19(17(23)25)6-3-10-24(15-19)18(26)20(21)7-2-8-20/h16H,2-15H2,1H3.
What are the key properties of 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 365.49 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-fluorocyclobutanecarbonyl)-2-[(1-methylpiperidin-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131679708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).