2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate

C15H27NO4 — CID 145065916

IUPAC2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate
SMILESCCC(C)[C@@H](C)OC(=O)C(=O)OCCN1CCCCC1
InChIInChI=1S/C15H27NO4/c1-4-12(2)13(3)20-15(18)14(17)19-11-10-16-8-6-5-7-9-16/h12-13H,4-11H2,1-3H3/t12?,13-/m1/s1
InChIKeyMACYYZRTOUKILD-ZGTCLIOFSA-N
MW285.38 g/mol
LogP1.99
Rot. Bonds6

About 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate

2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate (PubChem CID 145065916) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate.

Molecular Properties

Compound Name2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate
PubChem CID145065916
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate
SMILESCCC(C)[C@@H](C)OC(=O)C(=O)OCCN1CCCCC1
InChIInChI=1S/C15H27NO4/c1-4-12(2)13(3)20-15(18)14(17)19-11-10-16-8-6-5-7-9-16/h12-13H,4-11H2,1-3H3/t12?,13-/m1/s1
InChIKeyMACYYZRTOUKILD-ZGTCLIOFSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate?
The IUPAC name of 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate (CID 145065916) is 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate.
What is the SMILES notation for 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate?
The canonical SMILES for 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate is CCC(C)[C@@H](C)OC(=O)C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate?
The InChIKey is MACYYZRTOUKILD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-12(2)13(3)20-15(18)14(17)19-11-10-16-8-6-5-7-9-16/h12-13H,4-11H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate?
2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate has a molecular weight of 285.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate is sourced from PubChem (CID 145065916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).