[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate

C14H17N3O4 — CID 56827936

IUPAC[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate
SMILESNC(=O)C1CCCCN1C(=O)COC(=O)c1ccccn1
InChIInChI=1S/C14H17N3O4/c15-13(19)11-6-2-4-8-17(11)12(18)9-21-14(20)10-5-1-3-7-16-10/h1,3,5,7,11H,2,4,6,8-9H2,(H2,15,19)
InChIKeyFKQBVXKNKCKMML-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.10
Rot. Bonds4

About [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate

[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 56827936) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID56827936
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate
SMILESNC(=O)C1CCCCN1C(=O)COC(=O)c1ccccn1
InChIInChI=1S/C14H17N3O4/c15-13(19)11-6-2-4-8-17(11)12(18)9-21-14(20)10-5-1-3-7-16-10/h1,3,5,7,11H,2,4,6,8-9H2,(H2,15,19)
InChIKeyFKQBVXKNKCKMML-UHFFFAOYSA-N
XLogP0.10
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate (CID 56827936) is [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate is NC(=O)C1CCCCN1C(=O)COC(=O)c1ccccn1.
What is the InChIKey of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is FKQBVXKNKCKMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-13(19)11-6-2-4-8-17(11)12(18)9-21-14(20)10-5-1-3-7-16-10/h1,3,5,7,11H,2,4,6,8-9H2,(H2,15,19).
What are the key properties of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 56827936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).