2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide

C21H38N4O3 — CID 24719982

IUPAC2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCOCC(=O)N1CCN(C(C(=O)NCCN2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C21H38N4O3/c1-28-17-19(26)24-13-15-25(16-14-24)20(18-7-3-4-8-18)21(27)22-9-12-23-10-5-2-6-11-23/h18,20H,2-17H2,1H3,(H,22,27)
InChIKeySIZPTAIFXLCGNC-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.94
Rot. Bonds8

About 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide

2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 24719982) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID24719982
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCOCC(=O)N1CCN(C(C(=O)NCCN2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C21H38N4O3/c1-28-17-19(26)24-13-15-25(16-14-24)20(18-7-3-4-8-18)21(27)22-9-12-23-10-5-2-6-11-23/h18,20H,2-17H2,1H3,(H,22,27)
InChIKeySIZPTAIFXLCGNC-UHFFFAOYSA-N
XLogP0.94
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 24719982) is 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide is COCC(=O)N1CCN(C(C(=O)NCCN2CCCCC2)C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is SIZPTAIFXLCGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-28-17-19(26)24-13-15-25(16-14-24)20(18-7-3-4-8-18)21(27)22-9-12-23-10-5-2-6-11-23/h18,20H,2-17H2,1H3,(H,22,27).
What are the key properties of 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide?
2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 394.56 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 24719982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).