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

C15H26N2O4 — CID 114679618

IUPAC4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCC(O)C(C)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-11-4-7-17(12(8-11)14(19)20)15(21)16-6-5-13(18)10(2)9-16/h10-13,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyDKLAGLAAUYYDDY-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.38
Rot. Bonds2

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

4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114679618) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID114679618
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCC(O)C(C)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-11-4-7-17(12(8-11)14(19)20)15(21)16-6-5-13(18)10(2)9-16/h10-13,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyDKLAGLAAUYYDDY-UHFFFAOYSA-N
XLogP1.38
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430408
4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 102963044
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350
1-(3-hydroxypyrrolidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425542
4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114430577
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
CID 114429694
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
3-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114679445
(2S,4R)-1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 55260941
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid (CID 114679618) is 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid is CCC1CCN(C(=O)N2CCC(O)C(C)C2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is DKLAGLAAUYYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-11-4-7-17(12(8-11)14(19)20)15(21)16-6-5-13(18)10(2)9-16/h10-13,18H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114679618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).