3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid

C14H19N3O3 — CID 62217146

IUPAC3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
SMILESNC(=O)c1ccc(N2CCCCC2CCC(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c15-14(20)10-4-6-12(16-9-10)17-8-2-1-3-11(17)5-7-13(18)19/h4,6,9,11H,1-3,5,7-8H2,(H2,15,20)(H,18,19)
InChIKeyBVGNPYRFYDOVME-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds5

About 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid

3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid (PubChem CID 62217146) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
PubChem CID62217146
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid
SMILESNC(=O)c1ccc(N2CCCCC2CCC(=O)O)nc1
InChIInChI=1S/C14H19N3O3/c15-14(20)10-4-6-12(16-9-10)17-8-2-1-3-11(17)5-7-13(18)19/h4,6,9,11H,1-3,5,7-8H2,(H2,15,20)(H,18,19)
InChIKeyBVGNPYRFYDOVME-UHFFFAOYSA-N
XLogP1.40
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
CID 62216139
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
3-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62785287
6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
6-[2-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 61406687
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 116637062
2-[(2R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]acetamide
CID 100689790

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid (CID 62217146) is 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid is NC(=O)c1ccc(N2CCCCC2CCC(=O)O)nc1.
What is the InChIKey of 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid?
The InChIKey is BVGNPYRFYDOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-14(20)10-4-6-12(16-9-10)17-8-2-1-3-11(17)5-7-13(18)19/h4,6,9,11H,1-3,5,7-8H2,(H2,15,20)(H,18,19).
What are the key properties of 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid?
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).