6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H15N3O4 — CID 54878235

IUPAC6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(CO)CC1
InChIInChI=1S/C11H15N3O4/c15-6-7-1-3-14(4-2-7)10(17)8-5-9(16)13-11(18)12-8/h5,7,15H,1-4,6H2,(H2,12,13,16,18)
InChIKeyXNSHCAJGDQVVHO-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.09
Rot. Bonds2

About 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 54878235) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID54878235
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(CO)CC1
InChIInChI=1S/C11H15N3O4/c15-6-7-1-3-14(4-2-7)10(17)8-5-9(16)13-11(18)12-8/h5,7,15H,1-4,6H2,(H2,12,13,16,18)
InChIKeyXNSHCAJGDQVVHO-UHFFFAOYSA-N
XLogP-1.09
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 54878235) is 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC(CO)CC1.
What is the InChIKey of 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XNSHCAJGDQVVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-6-7-1-3-14(4-2-7)10(17)8-5-9(16)13-11(18)12-8/h5,7,15H,1-4,6H2,(H2,12,13,16,18).
What are the key properties of 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54878235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).