4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid

C14H24N2O4 — CID 115292892

IUPAC4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
SMILESCCC1CCCN(C(=O)NC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-2-11-4-3-7-16(10-11)13(19)15-14(12(17)18)5-8-20-9-6-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyPQCVBJBICJFTIU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.45
Rot. Bonds3

About 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid

4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid (PubChem CID 115292892) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
PubChem CID115292892
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
SMILESCCC1CCCN(C(=O)NC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-2-11-4-3-7-16(10-11)13(19)15-14(12(17)18)5-8-20-9-6-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyPQCVBJBICJFTIU-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 106588000
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 61408559
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293156
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64596804
1-[[(3-ethylpiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312418
1-[(2-ethylmorpholine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81163145
4-(3,6-dihydro-2H-pyridine-1-carbonylamino)oxane-4-carboxylic acid
CID 114411540

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid (CID 115292892) is 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid is CCC1CCCN(C(=O)NC2(C(=O)O)CCOCC2)C1.
What is the InChIKey of 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid?
The InChIKey is PQCVBJBICJFTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-11-4-3-7-16(10-11)13(19)15-14(12(17)18)5-8-20-9-6-14/h11H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid?
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).