8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one

C18H21F2N3O2 — CID 131690179

IUPAC8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(C1CC(F)(F)C1)N1CCC2(CC1)CCN(c1cccnc1)C2=O
InChIInChI=1S/C18H21F2N3O2/c19-18(20)10-13(11-18)15(24)22-7-3-17(4-8-22)5-9-23(16(17)25)14-2-1-6-21-12-14/h1-2,6,12-13H,3-5,7-11H2
InChIKeyNYRPOZTUOQRYIV-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.47
Rot. Bonds2

About 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one

8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131690179) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131690179
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(C1CC(F)(F)C1)N1CCC2(CC1)CCN(c1cccnc1)C2=O
InChIInChI=1S/C18H21F2N3O2/c19-18(20)10-13(11-18)15(24)22-7-3-17(4-8-22)5-9-23(16(17)25)14-2-1-6-21-12-14/h1-2,6,12-13H,3-5,7-11H2
InChIKeyNYRPOZTUOQRYIV-UHFFFAOYSA-N
XLogP2.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451472
8-[2-(1-hydroxycyclobutyl)acetyl]-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690170
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
2-pyridin-3-yl-7-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 134078370
9-(5-methyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 134075107
2-phenyl-8-[1-(pyridazin-4-ylmethyl)piperidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
CID 58334992
8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449899
9-[2-(1-methoxycyclobutyl)acetyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131688887
(7S)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619693
7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131694882
9-(oxolan-3-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155841747
4-(4-ethylpiperazine-1-carbonyl)-1-pyridin-3-ylpyrrolidin-2-one
CID 110684478

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one (CID 131690179) is 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one is O=C(C1CC(F)(F)C1)N1CCC2(CC1)CCN(c1cccnc1)C2=O.
What is the InChIKey of 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NYRPOZTUOQRYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c19-18(20)10-13(11-18)15(24)22-7-3-17(4-8-22)5-9-23(16(17)25)14-2-1-6-21-12-14/h1-2,6,12-13H,3-5,7-11H2.
What are the key properties of 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 349.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131690179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).