2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid

C13H17N3O4 — CID 63903910

IUPAC2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
SMILESNC(=O)c1ccc(N2CCC(OCC(=O)O)CC2)nc1
InChIInChI=1S/C13H17N3O4/c14-13(19)9-1-2-11(15-7-9)16-5-3-10(4-6-16)20-8-12(17)18/h1-2,7,10H,3-6,8H2,(H2,14,19)(H,17,18)
InChIKeyDUJPJSLNOWZHDJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.25
Rot. Bonds5

About 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid

2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63903910) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
PubChem CID63903910
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
SMILESNC(=O)c1ccc(N2CCC(OCC(=O)O)CC2)nc1
InChIInChI=1S/C13H17N3O4/c14-13(19)9-1-2-11(15-7-9)16-5-3-10(4-6-16)20-8-12(17)18/h1-2,7,10H,3-6,8H2,(H2,14,19)(H,17,18)
InChIKeyDUJPJSLNOWZHDJ-UHFFFAOYSA-N
XLogP0.25
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 176985331
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
6-[4-(2-aminoethoxy)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 82688178
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate
CID 71523156
2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 114335425
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
ethane;6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 170568898
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid (CID 63903910) is 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid is NC(=O)c1ccc(N2CCC(OCC(=O)O)CC2)nc1.
What is the InChIKey of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is DUJPJSLNOWZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-13(19)9-1-2-11(15-7-9)16-5-3-10(4-6-16)20-8-12(17)18/h1-2,7,10H,3-6,8H2,(H2,14,19)(H,17,18).
What are the key properties of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid?
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63903910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).