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

C16H19N5O4 — CID 122160256

IUPAC1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C16H19N5O4/c22-13-4-8-20(16(24)19-13)9-5-15(23)21-7-1-2-12(10-21)25-14-3-6-17-11-18-14/h3-4,6,8,11-12H,1-2,5,7,9-10H2,(H,19,22,24)
InChIKeyHFHMQDZEYDEQFX-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.21
Rot. Bonds5

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

1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione (PubChem CID 122160256) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione
PubChem CID122160256
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C16H19N5O4/c22-13-4-8-20(16(24)19-13)9-5-15(23)21-7-1-2-12(10-21)25-14-3-6-17-11-18-14/h3-4,6,8,11-12H,1-2,5,7,9-10H2,(H,19,22,24)
InChIKeyHFHMQDZEYDEQFX-UHFFFAOYSA-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-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[3-oxo-3-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 100638229
1-[3-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 122258750
1-[3-oxo-3-(3-pyridazin-3-yloxypyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 91627186
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
1-[3-[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 100616302
1-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)imidazolidin-2-one
CID 122161089
2-(1-methyltetrazol-5-yl)sulfanyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161043
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
1-[3-oxo-3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propyl]pyrimidine-2,4-dione
CID 122251253
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione (CID 122160256) is 1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione?
The InChIKey is HFHMQDZEYDEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c22-13-4-8-20(16(24)19-13)9-5-15(23)21-7-1-2-12(10-21)25-14-3-6-17-11-18-14/h3-4,6,8,11-12H,1-2,5,7,9-10H2,(H,19,22,24).
What are the key properties of 1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione?
1-[3-oxo-3-(3-pyrimidin-4-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-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 122160256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).