2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C26H48N4O2 — CID 24719270

IUPAC2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C26H48N4O2/c1-21-10-7-8-14-28(21)15-9-13-27-25(32)24(22-11-5-6-12-22)30-18-16-29(17-19-30)23(31)20-26(2,3)4/h21-22,24H,5-20H2,1-4H3,(H,27,32)
InChIKeyFFZFHXXZJAAICC-UHFFFAOYSA-N
MW448.70 g/mol
LogP3.51
Rot. Bonds8

About 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 24719270) has the molecular formula C26H48N4O2 and a molecular weight of 448.70 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID24719270
Molecular FormulaC26H48N4O2
Molecular Weight448.70 g/mol
Exact Mass448.38
IUPAC Name2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C26H48N4O2/c1-21-10-7-8-14-28(21)15-9-13-27-25(32)24(22-11-5-6-12-22)30-18-16-29(17-19-30)23(31)20-26(2,3)4/h21-22,24H,5-20H2,1-4H3,(H,27,32)
InChIKeyFFZFHXXZJAAICC-UHFFFAOYSA-N
XLogP3.51
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.70
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide 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 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 24719270) is 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is CC1CCCCN1CCCNC(=O)C(C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is FFZFHXXZJAAICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N4O2/c1-21-10-7-8-14-28(21)15-9-13-27-25(32)24(22-11-5-6-12-22)30-18-16-29(17-19-30)23(31)20-26(2,3)4/h21-22,24H,5-20H2,1-4H3,(H,27,32).
What are the key properties of 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 448.70 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 24719270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).