5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C17H20N4O4 — CID 56751375

IUPAC5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(C2(O)CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)nc1
InChIInChI=1S/C17H20N4O4/c1-11-2-3-13(18-9-11)17(25)4-6-21(7-5-17)14(22)8-12-10-19-16(24)20-15(12)23/h2-3,9-10,25H,4-8H2,1H3,(H2,19,20,23,24)
InChIKeyNCVFKTUQOOTANW-UHFFFAOYSA-N
MW344.37 g/mol
LogP-0.18
Rot. Bonds3

About 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56751375) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID56751375
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccc(C2(O)CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)nc1
InChIInChI=1S/C17H20N4O4/c1-11-2-3-13(18-9-11)17(25)4-6-21(7-5-17)14(22)8-12-10-19-16(24)20-15(12)23/h2-3,9-10,25H,4-8H2,1H3,(H2,19,20,23,24)
InChIKeyNCVFKTUQOOTANW-UHFFFAOYSA-N
XLogP-0.18
TPSA119.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 56751375) is 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is Cc1ccc(C2(O)CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)nc1.
What is the InChIKey of 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is NCVFKTUQOOTANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11-2-3-13(18-9-11)17(25)4-6-21(7-5-17)14(22)8-12-10-19-16(24)20-15(12)23/h2-3,9-10,25H,4-8H2,1H3,(H2,19,20,23,24).
What are the key properties of 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56751375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).