6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C12H17N3O4 — CID 54878844

IUPAC6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(CO)CC1
InChIInChI=1S/C12H17N3O4/c16-7-8-1-3-15(4-2-8)11(18)6-9-5-10(17)14-12(19)13-9/h5,8,16H,1-4,6-7H2,(H2,13,14,17,19)
InChIKeyBHBHCNBQRXXAMF-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.16
Rot. Bonds3

About 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 54878844) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID54878844
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(CO)CC1
InChIInChI=1S/C12H17N3O4/c16-7-8-1-3-15(4-2-8)11(18)6-9-5-10(17)14-12(19)13-9/h5,8,16H,1-4,6-7H2,(H2,13,14,17,19)
InChIKeyBHBHCNBQRXXAMF-UHFFFAOYSA-N
XLogP-1.16
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 54878844) is 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(CO)CC1.
What is the InChIKey of 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BHBHCNBQRXXAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-7-8-1-3-15(4-2-8)11(18)6-9-5-10(17)14-12(19)13-9/h5,8,16H,1-4,6-7H2,(H2,13,14,17,19).
What are the key properties of 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54878844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).