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

C26H48N2O4 — CID 121244479

IUPACbis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate
SMILESCC(C)C1CC(OC(=O)CCC(=O)OC2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C26H48N2O4/c1-15(2)21-11-19(12-22(27-21)16(3)4)31-25(29)9-10-26(30)32-20-13-23(17(5)6)28-24(14-20)18(7)8/h15-24,27-28H,9-14H2,1-8H3
InChIKeyMQEXFTUCPPRDIC-UHFFFAOYSA-N
MW452.68 g/mol
LogP4.46
Rot. Bonds9

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

bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate (PubChem CID 121244479) has the molecular formula C26H48N2O4 and a molecular weight of 452.68 g/mol. Its IUPAC name is bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate.

Molecular Properties

Compound Namebis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate
PubChem CID121244479
Molecular FormulaC26H48N2O4
Molecular Weight452.68 g/mol
Exact Mass452.36
IUPAC Namebis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate
SMILESCC(C)C1CC(OC(=O)CCC(=O)OC2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C26H48N2O4/c1-15(2)21-11-19(12-22(27-21)16(3)4)31-25(29)9-10-26(30)32-20-13-23(17(5)6)28-24(14-20)18(7)8/h15-24,27-28H,9-14H2,1-8H3
InChIKeyMQEXFTUCPPRDIC-UHFFFAOYSA-N
XLogP4.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.68
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate?
The IUPAC name of bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate (CID 121244479) is bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate.
What is the SMILES notation for bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate?
The canonical SMILES for bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate is CC(C)C1CC(OC(=O)CCC(=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] butanedioate?
The InChIKey is MQEXFTUCPPRDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O4/c1-15(2)21-11-19(12-22(27-21)16(3)4)31-25(29)9-10-26(30)32-20-13-23(17(5)6)28-24(14-20)18(7)8/h15-24,27-28H,9-14H2,1-8H3.
What are the key properties of bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate?
bis[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate has a molecular weight of 452.68 g/mol, XLogP of 4.46, 9 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] butanedioate is sourced from PubChem (CID 121244479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).