1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid

C14H20N2O3 — CID 104594637

IUPAC1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCn1cccc1C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-15-9-6-7-11(15)12(17)16-10-5-4-8-14(16,2)13(18)19/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,19)
InChIKeyCANZDADDNBWIJZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.98
Rot. Bonds3

About 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid

1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104594637) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104594637
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCn1cccc1C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-15-9-6-7-11(15)12(17)16-10-5-4-8-14(16,2)13(18)19/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,19)
InChIKeyCANZDADDNBWIJZ-UHFFFAOYSA-N
XLogP1.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977153
1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43638907
1-(1H-indole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595380
1-(1H-indole-7-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594600
1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 43638872
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
2-methyl-1-[3-(methylsulfanylmethyl)benzoyl]piperidine-2-carboxylic acid
CID 104595426
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
1-(5-bromofuran-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595385
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid (CID 104594637) is 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid is CCn1cccc1C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is CANZDADDNBWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-15-9-6-7-11(15)12(17)16-10-5-4-8-14(16,2)13(18)19/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104594637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).