6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C10H13N3O4 — CID 43416094

IUPAC6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(O)CC1
InChIInChI=1S/C10H13N3O4/c14-6-1-3-13(4-2-6)9(16)7-5-8(15)12-10(17)11-7/h5-6,14H,1-4H2,(H2,11,12,15,17)
InChIKeyTXFUZLKPFRGTMO-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.34
Rot. Bonds1

About 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 43416094) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID43416094
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(O)CC1
InChIInChI=1S/C10H13N3O4/c14-6-1-3-13(4-2-6)9(16)7-5-8(15)12-10(17)11-7/h5-6,14H,1-4H2,(H2,11,12,15,17)
InChIKeyTXFUZLKPFRGTMO-UHFFFAOYSA-N
XLogP-1.34
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 43416094) is 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(O)CC1.
What is the InChIKey of 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is TXFUZLKPFRGTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-6-1-3-13(4-2-6)9(16)7-5-8(15)12-10(17)11-7/h5-6,14H,1-4H2,(H2,11,12,15,17).
What are the key properties of 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 239.23 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43416094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).