4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C14H20N4O3 — CID 78835644

IUPAC4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCCCC2CCO)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H20N4O3/c1-16-12(11(9-15)13(20)17(2)14(16)21)18-7-4-3-5-10(18)6-8-19/h10,19H,3-8H2,1-2H3
InChIKeyZBRIHMMJGBIHGT-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.30
Rot. Bonds3

About 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 78835644) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID78835644
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCCCC2CCO)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H20N4O3/c1-16-12(11(9-15)13(20)17(2)14(16)21)18-7-4-3-5-10(18)6-8-19/h10,19H,3-8H2,1-2H3
InChIKeyZBRIHMMJGBIHGT-UHFFFAOYSA-N
XLogP-0.30
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 78835644) is 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(N2CCCCC2CCO)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is ZBRIHMMJGBIHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-16-12(11(9-15)13(20)17(2)14(16)21)18-7-4-3-5-10(18)6-8-19/h10,19H,3-8H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 78835644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).