bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate

C24H44N2O4 — CID 121244480

IUPACbis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate
SMILESCC(C)C1CC(OC(=O)CCC(=O)OC2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N2O4/c1-15(2)19-11-17(13-23(5,6)25-19)29-21(27)9-10-22(28)30-18-12-20(16(3)4)26-24(7,8)14-18/h15-20,25-26H,9-14H2,1-8H3
InChIKeyDKFRKHZSSONOEG-UHFFFAOYSA-N
MW424.63 g/mol
LogP3.96
Rot. Bonds7

About bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate

bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate (PubChem CID 121244480) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate.

Molecular Properties

Compound Namebis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate
PubChem CID121244480
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC Namebis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate
SMILESCC(C)C1CC(OC(=O)CCC(=O)OC2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C24H44N2O4/c1-15(2)19-11-17(13-23(5,6)25-19)29-21(27)9-10-22(28)30-18-12-20(16(3)4)26-24(7,8)14-18/h15-20,25-26H,9-14H2,1-8H3
InChIKeyDKFRKHZSSONOEG-UHFFFAOYSA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate 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 bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate?
The IUPAC name of bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate (CID 121244480) is bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate.
What is the SMILES notation for bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate?
The canonical SMILES for bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate is CC(C)C1CC(OC(=O)CCC(=O)OC2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate?
The InChIKey is DKFRKHZSSONOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-15(2)19-11-17(13-23(5,6)25-19)29-21(27)9-10-22(28)30-18-12-20(16(3)4)26-24(7,8)14-18/h15-20,25-26H,9-14H2,1-8H3.
What are the key properties of bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate?
bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate has a molecular weight of 424.63 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl) butanedioate is sourced from PubChem (CID 121244480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).