4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

C14H24N2O5 — CID 102962926

IUPAC4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCCC(OC)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-3-16(12-9-21-8-11(12)13(17)18)14(19)15-6-4-5-10(7-15)20-2/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyUHSASGDYPIHKDE-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.64
Rot. Bonds4

About 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 102962926) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID102962926
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCCC(OC)C1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O5/c1-3-16(12-9-21-8-11(12)13(17)18)14(19)15-6-4-5-10(7-15)20-2/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyUHSASGDYPIHKDE-UHFFFAOYSA-N
XLogP0.64
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 106315698
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
2-(3-methoxypiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120975154
4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247521
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[(3-methoxycyclohexyl)-methylamino]oxolane-3-carboxylic acid
CID 66237410
4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246691

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 102962926) is 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)N1CCCC(OC)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is UHSASGDYPIHKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-3-16(12-9-21-8-11(12)13(17)18)14(19)15-6-4-5-10(7-15)20-2/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 102962926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).