2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C19H20N4O2 — CID 131638499

IUPAC2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccnnc1)N1CCCC2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C19H20N4O2/c24-17(15-7-10-20-21-13-15)22-11-4-8-19(14-22)9-12-23(18(19)25)16-5-2-1-3-6-16/h1-3,5-7,10,13H,4,8-9,11-12,14H2
InChIKeyWVOXBWRBYOOGIN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.14
Rot. Bonds2

About 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131638499) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131638499
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccnnc1)N1CCCC2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C19H20N4O2/c24-17(15-7-10-20-21-13-15)22-11-4-8-19(14-22)9-12-23(18(19)25)16-5-2-1-3-6-16/h1-3,5-7,10,13H,4,8-9,11-12,14H2
InChIKeyWVOXBWRBYOOGIN-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 131679959
8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one
CID 171688524
9-(pyridazine-4-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131641976
(5S)-9-(1-methylpyrazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490395
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118744317
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
9-(5-methyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 134075107

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131638499) is 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(c1ccnnc1)N1CCCC2(CCN(c3ccccc3)C2=O)C1.
What is the InChIKey of 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is WVOXBWRBYOOGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17(15-7-10-20-21-13-15)22-11-4-8-19(14-22)9-12-23(18(19)25)16-5-2-1-3-6-16/h1-3,5-7,10,13H,4,8-9,11-12,14H2.
What are the key properties of 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 336.39 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131638499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).