bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate

C25H46N2O4 — CID 121244452

IUPACbis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate
SMILESCC(C)C1CC(OC(=O)CC(=O)OC2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C25H46N2O4/c1-14(2)20-9-18(10-21(26-20)15(3)4)30-24(28)13-25(29)31-19-11-22(16(5)6)27-23(12-19)17(7)8/h14-23,26-27H,9-13H2,1-8H3
InChIKeyLQEOBPAMIPIRJC-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.07
Rot. Bonds8

About bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate

bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate (PubChem CID 121244452) has the molecular formula C25H46N2O4 and a molecular weight of 438.65 g/mol. Its IUPAC name is bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate.

Molecular Properties

Compound Namebis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate
PubChem CID121244452
Molecular FormulaC25H46N2O4
Molecular Weight438.65 g/mol
Exact Mass438.35
IUPAC Namebis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate
SMILESCC(C)C1CC(OC(=O)CC(=O)OC2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C25H46N2O4/c1-14(2)20-9-18(10-21(26-20)15(3)4)30-24(28)13-25(29)31-19-11-22(16(5)6)27-23(12-19)17(7)8/h14-23,26-27H,9-13H2,1-8H3
InChIKeyLQEOBPAMIPIRJC-UHFFFAOYSA-N
XLogP4.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate?
The IUPAC name of bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate (CID 121244452) is bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate.
What is the SMILES notation for bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate?
The canonical SMILES for bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate is CC(C)C1CC(OC(=O)CC(=O)OC2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1.
What is the InChIKey of bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate?
The InChIKey is LQEOBPAMIPIRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O4/c1-14(2)20-9-18(10-21(26-20)15(3)4)30-24(28)13-25(29)31-19-11-22(16(5)6)27-23(12-19)17(7)8/h14-23,26-27H,9-13H2,1-8H3.
What are the key properties of bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate?
bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate has a molecular weight of 438.65 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,6-di(propan-2-yl)piperidin-4-yl] propanedioate is sourced from PubChem (CID 121244452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).