5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

C15H23N3O3 — CID 62357107

IUPAC5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H23N3O3/c1-10-13(11(2)17-15(21)16-10)8-14(20)18-6-3-4-12(9-18)5-7-19/h12,19H,3-9H2,1-2H3,(H,16,17,21)
InChIKeyDQULSLBXSQIWPO-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.55
Rot. Bonds4

About 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one

5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 62357107) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID62357107
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H23N3O3/c1-10-13(11(2)17-15(21)16-10)8-14(20)18-6-3-4-12(9-18)5-7-19/h12,19H,3-9H2,1-2H3,(H,16,17,21)
InChIKeyDQULSLBXSQIWPO-UHFFFAOYSA-N
XLogP0.55
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one (CID 62357107) is 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC(CCO)C1.
What is the InChIKey of 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is DQULSLBXSQIWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-13(11(2)17-15(21)16-10)8-14(20)18-6-3-4-12(9-18)5-7-19/h12,19H,3-9H2,1-2H3,(H,16,17,21).
What are the key properties of 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one?
5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 293.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 62357107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).