4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate

C25H46N2O4 — CID 121244510

IUPAC4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate
SMILESCC(C)C1CC(OC(=O)CCC(=O)OC2CC(C(C)C)NC(C)(C)C2)CC(C(C)C)N1
InChIInChI=1S/C25H46N2O4/c1-15(2)20-11-18(12-21(26-20)16(3)4)30-23(28)9-10-24(29)31-19-13-22(17(5)6)27-25(7,8)14-19/h15-22,26-27H,9-14H2,1-8H3
InChIKeyWXEVIYJPJKBQIL-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.21
Rot. Bonds8

About 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate

4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate (PubChem CID 121244510) has the molecular formula C25H46N2O4 and a molecular weight of 438.65 g/mol. Its IUPAC name is 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate.

Molecular Properties

Compound Name4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate
PubChem CID121244510
Molecular FormulaC25H46N2O4
Molecular Weight438.65 g/mol
Exact Mass438.35
IUPAC Name4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate
SMILESCC(C)C1CC(OC(=O)CCC(=O)OC2CC(C(C)C)NC(C)(C)C2)CC(C(C)C)N1
InChIInChI=1S/C25H46N2O4/c1-15(2)20-11-18(12-21(26-20)16(3)4)30-23(28)9-10-24(29)31-19-13-22(17(5)6)27-25(7,8)14-19/h15-22,26-27H,9-14H2,1-8H3
InChIKeyWXEVIYJPJKBQIL-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate?
The IUPAC name of 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate (CID 121244510) is 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate.
What is the SMILES notation for 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate?
The canonical SMILES for 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[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)C2)CC(C(C)C)N1.
What is the InChIKey of 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate?
The InChIKey is WXEVIYJPJKBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O4/c1-15(2)20-11-18(12-21(26-20)16(3)4)30-23(28)9-10-24(29)31-19-13-22(17(5)6)27-25(7,8)14-19/h15-22,26-27H,9-14H2,1-8H3.
What are the key properties of 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate?
4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate has a molecular weight of 438.65 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) 1-O-[2,6-di(propan-2-yl)piperidin-4-yl] butanedioate is sourced from PubChem (CID 121244510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).