5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C17H23N3O4 — CID 72924035

IUPAC5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOCCC1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1
InChIInChI=1S/C17H23N3O4/c1-12-14(8-13(9-18)15(22)19-12)16(23)20-6-3-4-17(10-20,11-21)5-7-24-2/h8,21H,3-7,10-11H2,1-2H3,(H,19,22)
InChIKeySVRHIZDUNRRUAT-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.81
Rot. Bonds5

About 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 72924035) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID72924035
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOCCC1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1
InChIInChI=1S/C17H23N3O4/c1-12-14(8-13(9-18)15(22)19-12)16(23)20-6-3-4-17(10-20,11-21)5-7-24-2/h8,21H,3-7,10-11H2,1-2H3,(H,19,22)
InChIKeySVRHIZDUNRRUAT-UHFFFAOYSA-N
XLogP0.81
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 72924035) is 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is COCCC1(CO)CCCN(C(=O)c2cc(C#N)c(=O)[nH]c2C)C1.
What is the InChIKey of 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SVRHIZDUNRRUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-14(8-13(9-18)15(22)19-12)16(23)20-6-3-4-17(10-20,11-21)5-7-24-2/h8,21H,3-7,10-11H2,1-2H3,(H,19,22).
What are the key properties of 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 72924035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).