1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

C15H26N2O3 — CID 114425231

IUPAC1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-12-6-4-5-8-16(12)15(20)17-9-7-11(2)10-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyVRBMEWFLYLYYSR-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds2

About 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid

1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114425231) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114425231
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-3-12-6-4-5-8-16(12)15(20)17-9-7-11(2)10-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyVRBMEWFLYLYYSR-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
(2S)-1-(2-ethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61196770
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425340
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350
4-methyl-1-(4-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425581
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 104891603
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
CID 108988506
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid (CID 114425231) is 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is CCC1CCCCN1C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is VRBMEWFLYLYYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-12-6-4-5-8-16(12)15(20)17-9-7-11(2)10-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114425231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).