4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C13H17N3O3 — CID 81243873

IUPAC4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESNC(=O)CC1CCN(c2ccncc2C(=O)O)CC1
InChIInChI=1S/C13H17N3O3/c14-12(17)7-9-2-5-16(6-3-9)11-1-4-15-8-10(11)13(18)19/h1,4,8-9H,2-3,5-7H2,(H2,14,17)(H,18,19)
InChIKeyJUNQYQAQDPAJPG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.87
Rot. Bonds4

About 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid

4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 81243873) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID81243873
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESNC(=O)CC1CCN(c2ccncc2C(=O)O)CC1
InChIInChI=1S/C13H17N3O3/c14-12(17)7-9-2-5-16(6-3-9)11-1-4-15-8-10(11)13(18)19/h1,4,8-9H,2-3,5-7H2,(H2,14,17)(H,18,19)
InChIKeyJUNQYQAQDPAJPG-UHFFFAOYSA-N
XLogP0.87
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 81243873) is 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid is NC(=O)CC1CCN(c2ccncc2C(=O)O)CC1.
What is the InChIKey of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is JUNQYQAQDPAJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(17)7-9-2-5-16(6-3-9)11-1-4-15-8-10(11)13(18)19/h1,4,8-9H,2-3,5-7H2,(H2,14,17)(H,18,19).
What are the key properties of 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid?
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).