4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid

C15H26N2O4 — CID 66245344

IUPAC4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CC(C)CC(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-4-17(13-9-21-8-12(13)14(18)19)15(20)16-6-10(2)5-11(3)7-16/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyAJYMJLSPFXDDTL-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.51
Rot. Bonds3

About 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid

4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66245344) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID66245344
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CC(C)CC(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-4-17(13-9-21-8-12(13)14(18)19)15(20)16-6-10(2)5-11(3)7-16/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyAJYMJLSPFXDDTL-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962926
4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 106315698
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246337
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid (CID 66245344) is 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)N1CC(C)CC(C)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is AJYMJLSPFXDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-17(13-9-21-8-12(13)14(18)19)15(20)16-6-10(2)5-11(3)7-16/h10-13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid?
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).