4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid

C15H21N3O3 — CID 114430379

IUPAC4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Nc2cnccc2C)C(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-3-11-5-7-18(13(8-11)14(19)20)15(21)17-12-9-16-6-4-10(12)2/h4,6,9,11,13H,3,5,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyPSDFCAGMVWNPQD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds3

About 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid

4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114430379) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID114430379
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Nc2cnccc2C)C(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-3-11-5-7-18(13(8-11)14(19)20)15(21)17-12-9-16-6-4-10(12)2/h4,6,9,11,13H,3,5,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyPSDFCAGMVWNPQD-UHFFFAOYSA-N
XLogP2.50
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid (CID 114430379) is 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)Nc2cnccc2C)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is PSDFCAGMVWNPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-11-5-7-18(13(8-11)14(19)20)15(21)17-12-9-16-6-4-10(12)2/h4,6,9,11,13H,3,5,7-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).