3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 63144873

IUPAC3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2(C)CCNCC2)C1
InChIInChI=1S/C14H24N2O3/c1-3-14(12(18)19)6-9-16(10-14)11(17)13(2)4-7-15-8-5-13/h15H,3-10H2,1-2H3,(H,18,19)
InChIKeySTXSIHNCNXOIFX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds3

About 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63144873) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63144873
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)C2(C)CCNCC2)C1
InChIInChI=1S/C14H24N2O3/c1-3-14(12(18)19)6-9-16(10-14)11(17)13(2)4-7-15-8-5-13/h15H,3-10H2,1-2H3,(H,18,19)
InChIKeySTXSIHNCNXOIFX-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-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

3-ethyl-1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 106980645
3-ethyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145224
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
1-(2,2-difluoroacetyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 103513279
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
3-ethyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 83198886
(2,2-dimethylmorpholin-4-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121830
1-(3-methylpiperidine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63137762
3-ethyl-1-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79350941
1-(3,5-dioxopiperazine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66063186

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 63144873) is 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)C2(C)CCNCC2)C1.
What is the InChIKey of 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is STXSIHNCNXOIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-14(12(18)19)6-9-16(10-14)11(17)13(2)4-7-15-8-5-13/h15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63144873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).