1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C12H17N3O4 — CID 54878745

IUPAC1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC(CO)CC1
InChIInChI=1S/C12H17N3O4/c16-8-9-1-4-14(5-2-9)11(18)7-15-6-3-10(17)13-12(15)19/h3,6,9,16H,1-2,4-5,7-8H2,(H,13,17,19)
InChIKeyCKEYWNQKZVTUQS-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.23
Rot. Bonds3

About 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 54878745) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID54878745
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC(CO)CC1
InChIInChI=1S/C12H17N3O4/c16-8-9-1-4-14(5-2-9)11(18)7-15-6-3-10(17)13-12(15)19/h3,6,9,16H,1-2,4-5,7-8H2,(H,13,17,19)
InChIKeyCKEYWNQKZVTUQS-UHFFFAOYSA-N
XLogP-1.23
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 54878745) is 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(CO)CC1.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is CKEYWNQKZVTUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-8-9-1-4-14(5-2-9)11(18)7-15-6-3-10(17)13-12(15)19/h3,6,9,16H,1-2,4-5,7-8H2,(H,13,17,19).
What are the key properties of 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54878745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).