1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 114428989

IUPAC1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCCC1CCNC(C(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-3-10-4-6-15-11(8-10)12(17)16-7-5-14(2,9-16)13(18)19/h10-11,15H,3-9H2,1-2H3,(H,18,19)
InChIKeyQQWSVIKZGWBQQA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds3

About 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 114428989) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID114428989
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCCC1CCNC(C(=O)N2CCC(C)(C(=O)O)C2)C1
InChIInChI=1S/C14H24N2O3/c1-3-10-4-6-15-11(8-10)12(17)16-7-5-14(2,9-16)13(18)19/h10-11,15H,3-9H2,1-2H3,(H,18,19)
InChIKeyQQWSVIKZGWBQQA-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

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Related Compounds

4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 114428986
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428966
(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220216
(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428788
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
1-(4-ethylpiperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976061
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 114429479
(4-ethylpiperidin-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 114429590
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
1-(1-ethylsulfonylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256328

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 114428989) is 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CCC1CCNC(C(=O)N2CCC(C)(C(=O)O)C2)C1.
What is the InChIKey of 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QQWSVIKZGWBQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-10-4-6-15-11(8-10)12(17)16-7-5-14(2,9-16)13(18)19/h10-11,15H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-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 1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114428989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).