bis(1-prop-2-enoxypiperidin-4-yl) decanedioate

C26H44N2O6 — CID 54097978

IUPACbis(1-prop-2-enoxypiperidin-4-yl) decanedioate
SMILESC=CCON1CCC(OC(=O)CCCCCCCCC(=O)OC2CCN(OCC=C)CC2)CC1
InChIInChI=1S/C26H44N2O6/c1-3-21-31-27-17-13-23(14-18-27)33-25(29)11-9-7-5-6-8-10-12-26(30)34-24-15-19-28(20-16-24)32-22-4-2/h3-4,23-24H,1-2,5-22H2
InChIKeyMYMSUUUFHWHSCM-UHFFFAOYSA-N
MW480.65 g/mol
LogP4.36
Rot. Bonds17

About bis(1-prop-2-enoxypiperidin-4-yl) decanedioate

bis(1-prop-2-enoxypiperidin-4-yl) decanedioate (PubChem CID 54097978) has the molecular formula C26H44N2O6 and a molecular weight of 480.65 g/mol. Its IUPAC name is bis(1-prop-2-enoxypiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(1-prop-2-enoxypiperidin-4-yl) decanedioate
PubChem CID54097978
Molecular FormulaC26H44N2O6
Molecular Weight480.65 g/mol
Exact Mass480.32
IUPAC Namebis(1-prop-2-enoxypiperidin-4-yl) decanedioate
SMILESC=CCON1CCC(OC(=O)CCCCCCCCC(=O)OC2CCN(OCC=C)CC2)CC1
InChIInChI=1S/C26H44N2O6/c1-3-21-31-27-17-13-23(14-18-27)33-25(29)11-9-7-5-6-8-10-12-26(30)34-24-15-19-28(20-16-24)32-22-4-2/h3-4,23-24H,1-2,5-22H2
InChIKeyMYMSUUUFHWHSCM-UHFFFAOYSA-N
XLogP4.36
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-prop-2-enoxypiperidin-4-yl) decanedioate?
The IUPAC name of bis(1-prop-2-enoxypiperidin-4-yl) decanedioate (CID 54097978) is bis(1-prop-2-enoxypiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(1-prop-2-enoxypiperidin-4-yl) decanedioate?
The canonical SMILES for bis(1-prop-2-enoxypiperidin-4-yl) decanedioate is C=CCON1CCC(OC(=O)CCCCCCCCC(=O)OC2CCN(OCC=C)CC2)CC1.
What is the InChIKey of bis(1-prop-2-enoxypiperidin-4-yl) decanedioate?
The InChIKey is MYMSUUUFHWHSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O6/c1-3-21-31-27-17-13-23(14-18-27)33-25(29)11-9-7-5-6-8-10-12-26(30)34-24-15-19-28(20-16-24)32-22-4-2/h3-4,23-24H,1-2,5-22H2.
What are the key properties of bis(1-prop-2-enoxypiperidin-4-yl) decanedioate?
bis(1-prop-2-enoxypiperidin-4-yl) decanedioate has a molecular weight of 480.65 g/mol, XLogP of 4.36, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-prop-2-enoxypiperidin-4-yl) decanedioate is sourced from PubChem (CID 54097978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).