4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

C15H19N3O4 — CID 119186144

IUPAC4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCNC(=O)CC1CCN(C(=O)c2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C15H19N3O4/c1-16-13(19)8-10-3-6-18(7-4-10)14(20)11-2-5-17-12(9-11)15(21)22/h2,5,9-10H,3-4,6-8H2,1H3,(H,16,19)(H,21,22)
InChIKeyINKUBSDBWDFLRC-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.77
Rot. Bonds4

About 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119186144) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119186144
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCNC(=O)CC1CCN(C(=O)c2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C15H19N3O4/c1-16-13(19)8-10-3-6-18(7-4-10)14(20)11-2-5-17-12(9-11)15(21)22/h2,5,9-10H,3-4,6-8H2,1H3,(H,16,19)(H,21,22)
InChIKeyINKUBSDBWDFLRC-UHFFFAOYSA-N
XLogP0.77
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119185875
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
4-[2-(methylamino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 75503757
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide
CID 127776962
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246
2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119186144) is 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is CNC(=O)CC1CCN(C(=O)c2ccnc(C(=O)O)c2)CC1.
What is the InChIKey of 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is INKUBSDBWDFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-16-13(19)8-10-3-6-18(7-4-10)14(20)11-2-5-17-12(9-11)15(21)22/h2,5,9-10H,3-4,6-8H2,1H3,(H,16,19)(H,21,22).
What are the key properties of 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119186144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).