3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid

C15H26N2O3 — CID 107068165

IUPAC3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C2NCCCC2C)C1
InChIInChI=1S/C15H26N2O3/c1-3-15(14(19)20)7-5-9-17(10-15)13(18)12-11(2)6-4-8-16-12/h11-12,16H,3-10H2,1-2H3,(H,19,20)
InChIKeyVHZRLKJSTHDOLP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds3

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

3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 107068165) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID107068165
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)C2NCCCC2C)C1
InChIInChI=1S/C15H26N2O3/c1-3-15(14(19)20)7-5-9-17(10-15)13(18)12-11(2)6-4-8-16-12/h11-12,16H,3-10H2,1-2H3,(H,19,20)
InChIKeyVHZRLKJSTHDOLP-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107068166
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
3-ethyl-1-(2-methylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383810
3-ethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 106740017
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
CID 107436436
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid (CID 107068165) is 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)C2NCCCC2C)C1.
What is the InChIKey of 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is VHZRLKJSTHDOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-15(14(19)20)7-5-9-17(10-15)13(18)12-11(2)6-4-8-16-12/h11-12,16H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid?
3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107068165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).