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

C15H21N3O3 — CID 63327650

IUPAC4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2cnccc2C)CC1
InChIInChI=1S/C15H21N3O3/c1-3-15(13(19)20)5-8-18(9-6-15)14(21)17-12-10-16-7-4-11(12)2/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBFQYOLZFRLRBAH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds3

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

4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 63327650) 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-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID63327650
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2cnccc2C)CC1
InChIInChI=1S/C15H21N3O3/c1-3-15(13(19)20)5-8-18(9-6-15)14(21)17-12-10-16-7-4-11(12)2/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyBFQYOLZFRLRBAH-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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Related Compounds

N-(4-methyl-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide
CID 146084717
N-(4-methyl-3-pyridinyl)-2-azaspiro[3.4]octane-2-carboxamide
CID 146089930
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63125610
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 107589365
4-ethyl-1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63303555
4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63126941
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430379
4-ethyl-1-(2-methylpyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106752604
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107530107

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid (CID 63327650) is 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Nc2cnccc2C)CC1.
What is the InChIKey of 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BFQYOLZFRLRBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15(13(19)20)5-8-18(9-6-15)14(21)17-12-10-16-7-4-11(12)2/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 63327650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).