3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

C16H22N2O5 — CID 70738022

IUPAC3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C16H22N2O5/c1-23-10-4-7-16(15(21)22)6-3-9-18(11-16)14(20)12-5-2-8-17-13(12)19/h2,5,8H,3-4,6-7,9-11H2,1H3,(H,17,19)(H,21,22)
InChIKeyJYLAWVHCSQIIRU-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.11
Rot. Bonds6

About 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 70738022) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID70738022
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C16H22N2O5/c1-23-10-4-7-16(15(21)22)6-3-9-18(11-16)14(20)12-5-2-8-17-13(12)19/h2,5,8H,3-4,6-7,9-11H2,1H3,(H,17,19)(H,21,22)
InChIKeyJYLAWVHCSQIIRU-UHFFFAOYSA-N
XLogP1.11
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (CID 70738022) is 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is COCCCC1(C(=O)O)CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JYLAWVHCSQIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-23-10-4-7-16(15(21)22)6-3-9-18(11-16)14(20)12-5-2-8-17-13(12)19/h2,5,8H,3-4,6-7,9-11H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 70738022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).