1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione

C16H19N5O4 — CID 100638229

IUPAC1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C16H19N5O4/c22-13-5-9-20(16(24)18-13)10-6-15(23)21-8-2-3-12(11-21)25-14-4-1-7-17-19-14/h1,4-5,7,9,12H,2-3,6,8,10-11H2,(H,18,22,24)/t12-/m1/s1
InChIKeyWMIDHTPUWSNYTO-GFCCVEGCSA-N
MW345.36 g/mol
LogP-0.21
Rot. Bonds5

About 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione

1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione (PubChem CID 100638229) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione
PubChem CID100638229
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](Oc2cccnn2)C1
InChIInChI=1S/C16H19N5O4/c22-13-5-9-20(16(24)18-13)10-6-15(23)21-8-2-3-12(11-21)25-14-4-1-7-17-19-14/h1,4-5,7,9,12H,2-3,6,8,10-11H2,(H,18,22,24)/t12-/m1/s1
InChIKeyWMIDHTPUWSNYTO-GFCCVEGCSA-N
XLogP-0.21
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[3-oxo-3-(3-pyridazin-3-yloxypyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 91627186
1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione
CID 122160256
1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 122258750
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 91627690
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
1-(3-pyridazin-3-yloxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 91627703
1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 100616302
5-(3-pyridazin-3-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 91627644
4-chloro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)butan-1-one
CID 90638218
2-(benzimidazol-1-yl)-1-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100637947
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 91627663

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione (CID 100638229) is 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CCC[C@@H](Oc2cccnn2)C1.
What is the InChIKey of 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione?
The InChIKey is WMIDHTPUWSNYTO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O4/c22-13-5-9-20(16(24)18-13)10-6-15(23)21-8-2-3-12(11-21)25-14-4-1-7-17-19-14/h1,4-5,7,9,12H,2-3,6,8,10-11H2,(H,18,22,24)/t12-/m1/s1.
What are the key properties of 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione?
1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione has a molecular weight of 345.36 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 100638229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).