8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

C19H19FN4O2 — CID 97449899

IUPAC8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)CCN(c1cncnc1)C2=O
InChIInChI=1S/C19H19FN4O2/c20-15-3-1-14(2-4-15)17(25)23-8-5-19(6-9-23)7-10-24(18(19)26)16-11-21-13-22-12-16/h1-4,11-13H,5-10H2
InChIKeyKSOLOMDBKYFVBD-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.28
Rot. Bonds2

About 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449899) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449899
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)CCN(c1cncnc1)C2=O
InChIInChI=1S/C19H19FN4O2/c20-15-3-1-14(2-4-15)17(25)23-8-5-19(6-9-23)7-10-24(18(19)26)16-11-21-13-22-12-16/h1-4,11-13H,5-10H2
InChIKeyKSOLOMDBKYFVBD-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131686788
8-(3-fluorobenzoyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 155901290
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476
8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688528
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690179
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-[4-(2-oxoimidazolidin-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-1-one
CID 142585059
2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914329
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
8-(4-fluorobenzoyl)-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911545

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (CID 97449899) is 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is O=C(c1ccc(F)cc1)N1CCC2(CC1)CCN(c1cncnc1)C2=O.
What is the InChIKey of 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KSOLOMDBKYFVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-15-3-1-14(2-4-15)17(25)23-8-5-19(6-9-23)7-10-24(18(19)26)16-11-21-13-22-12-16/h1-4,11-13H,5-10H2.
What are the key properties of 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 354.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).