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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Related Compounds

4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 81244824
4-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81244268
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 81232649
4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133470712
1-[4-(4-methylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 83888249
4-(4-tert-butylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 81233072
2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
CID 103000800
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749

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).