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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Related Compounds

1-(2-Methyl-butylcarbamoyl)-piperidine-2-carboxylic acid 3-pyridin-3-yl-propyl ester
CID 44365238
(S)-3-Methyl-2-(3-pyridin-2-ylmethyl-ureido)-pentanoic acid methyl ester
CID 9551668
2,4-Dimethyl-6-[(3-pyridinylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 3122276
4-methyl-6-(pyridin-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic Acid
CID 2942262
(S)-3-Methyl-2-(3-pyridin-3-ylmethyl-ureido)-pentanoic acid methyl ester
CID 16682431
(2S)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-4-methylpentanoic acid
CID 137649474
Boc-3-(4-pyridyl)-D-alanine
CID 2734503
2-{[(Tert-butoxy)carbonyl]amino}-3-(pyridin-4-yl)propanoic acid
CID 3294373
(2S)-2-(((tert-butoxy)carbonyl)amino)-3-(pyridin-4-yl)propanoic acid
CID 7020844
H-4Pal-Val-Ile-Ala-OH
CID 162653587
2-(hydroxymethyl)-N-pyridin-3-ylpiperidine-1-carboxamide
CID 172433933
1-(Pyridin-4-ylmethyl)piperidine-2-carboxylic acid dihydrochloride
CID 50988439

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).