1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 63147979

IUPAC1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCC(C)CC2C)C1
InChIInChI=1S/C15H26N2O3/c1-4-15(13(18)19)6-8-16(10-15)14(20)17-7-5-11(2)9-12(17)3/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyKFVCIQSZJZWSBI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.41
Rot. Bonds2

About 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid

1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63147979) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63147979
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCC(C)CC2C)C1
InChIInChI=1S/C15H26N2O3/c1-4-15(13(18)19)6-8-16(10-15)14(20)17-7-5-11(2)9-12(17)3/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyKFVCIQSZJZWSBI-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
3-ethyl-1-(5-ethyl-2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63149252
1-(3,5-dioxopiperazine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66063186
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid
CID 102783127
3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146066
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
1-(2,4-dimethylcyclohexyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 65064235
1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135804
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 102962502
1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63607820
3-ethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 106740017

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid (CID 63147979) is 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCC(C)CC2C)C1.
What is the InChIKey of 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is KFVCIQSZJZWSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-15(13(18)19)6-8-16(10-15)14(20)17-7-5-11(2)9-12(17)3/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid?
1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).