1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid

C12H15N3O3 — CID 43517519

IUPAC1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
SMILESNC(=O)c1cc(N2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C12H15N3O3/c13-11(16)10-7-9(1-4-14-10)15-5-2-8(3-6-15)12(17)18/h1,4,7-8H,2-3,5-6H2,(H2,13,16)(H,17,18)
InChIKeyWAIMUOPMIPTYRS-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.48
Rot. Bonds3

About 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid

1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 43517519) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
PubChem CID43517519
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
SMILESNC(=O)c1cc(N2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C12H15N3O3/c13-11(16)10-7-9(1-4-14-10)15-5-2-8(3-6-15)12(17)18/h1,4,7-8H,2-3,5-6H2,(H2,13,16)(H,17,18)
InChIKeyWAIMUOPMIPTYRS-UHFFFAOYSA-N
XLogP0.48
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid (CID 43517519) is 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid is NC(=O)c1cc(N2CCC(C(=O)O)CC2)ccn1.
What is the InChIKey of 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is WAIMUOPMIPTYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-11(16)10-7-9(1-4-14-10)15-5-2-8(3-6-15)12(17)18/h1,4,7-8H,2-3,5-6H2,(H2,13,16)(H,17,18).
What are the key properties of 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid?
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43517519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).