1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid

C16H28N2O3 — CID 63135824

IUPAC1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C16H28N2O3/c1-4-16(14(19)20)6-5-7-17(11-16)15(21)18-9-12(2)8-13(3)10-18/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyCAUCLWNLMMAVQW-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.66
Rot. Bonds2

About 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid

1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63135824) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID63135824
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C16H28N2O3/c1-4-16(14(19)20)6-5-7-17(11-16)15(21)18-9-12(2)8-13(3)10-18/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyCAUCLWNLMMAVQW-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 63138089
1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
3-ethyl-1-(2-ethyl-5-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83219396
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 63136615
(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
3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 106588062
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112
1-(2-cyclopropylpropanoyl)-3-ethylpiperidine-3-carboxylic acid
CID 83147613
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid (CID 63135824) is 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)N2CC(C)CC(C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is CAUCLWNLMMAVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-16(14(19)20)6-5-7-17(11-16)15(21)18-9-12(2)8-13(3)10-18/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid?
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).