3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

C16H28N2O3 — CID 83219396

IUPAC3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1CCC(C)N1C(=O)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-4-13-8-7-12(3)18(13)15(21)17-10-6-9-16(5-2,11-17)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyFUONRIVSMDTMHQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.95
Rot. Bonds3

About 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid

3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 83219396) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID83219396
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1CCC(C)N1C(=O)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-4-13-8-7-12(3)18(13)15(21)17-10-6-9-16(5-2,11-17)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyFUONRIVSMDTMHQ-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-5-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 115887042
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 63136615
3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 63138089
1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135804
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63149252
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147979

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid (CID 83219396) is 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is CCC1CCC(C)N1C(=O)N1CCCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is FUONRIVSMDTMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-13-8-7-12(3)18(13)15(21)17-10-6-9-16(5-2,11-17)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid?
3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83219396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).