4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid

C15H26N2O4 — CID 102963044

IUPAC4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCCC(OC)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-11-6-8-17(13(9-11)14(18)19)15(20)16-7-4-5-12(10-16)21-2/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyZELPKTJGLQFAOM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds3

About 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid

4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 102963044) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID102963044
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCCC(OC)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-11-6-8-17(13(9-11)14(18)19)15(20)16-7-4-5-12(10-16)21-2/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyZELPKTJGLQFAOM-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114679618
1-(3-methoxypiperidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744619
1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430408
4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114430577
2-[1-(3-methoxypiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 102963039
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 55030907
4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350
(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 106588061

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid (CID 102963044) is 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid is CCC1CCN(C(=O)N2CCCC(OC)C2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is ZELPKTJGLQFAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-11-6-8-17(13(9-11)14(18)19)15(20)16-7-4-5-12(10-16)21-2/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid?
4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 102963044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).