4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

C15H22N2O3 — CID 114427000

IUPAC4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)c2cccn2CC)C(C(=O)O)C1
InChIInChI=1S/C15H22N2O3/c1-3-11-7-9-17(13(10-11)15(19)20)14(18)12-6-5-8-16(12)4-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyHSSQGDNSODGIFH-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.22
Rot. Bonds4

About 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114427000) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID114427000
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)c2cccn2CC)C(C(=O)O)C1
InChIInChI=1S/C15H22N2O3/c1-3-11-7-9-17(13(10-11)15(19)20)14(18)12-6-5-8-16(12)4-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyHSSQGDNSODGIFH-UHFFFAOYSA-N
XLogP2.22
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427256
1-(4-bromo-1-methylpyrrole-2-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426967
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 103440844
4-ethyl-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 114427235
1-(3-bromo-5-fluorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426990
4-ethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 45043186
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941
1-(3-amino-4-methylbenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114429700
tert-butyl (2S)-1-(1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 115535793
4-ethyl-1-(4-fluoro-3-methylbenzoyl)piperidine-2-carboxylic acid
CID 114427211

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (CID 114427000) is 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is CCC1CCN(C(=O)c2cccn2CC)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is HSSQGDNSODGIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-11-7-9-17(13(10-11)15(19)20)14(18)12-6-5-8-16(12)4-2/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?
4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-ethylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114427000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).