2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide

C21H39N3O2 — CID 24719893

IUPAC2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C21H39N3O2/c1-5-12-22(4)21(26)19(18-10-8-9-11-18)23-13-15-24(16-14-23)20(25)17(6-2)7-3/h17-19H,5-16H2,1-4H3
InChIKeyXKRJWQRWGWDOLU-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.99
Rot. Bonds8

About 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide

2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide (PubChem CID 24719893) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
PubChem CID24719893
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C21H39N3O2/c1-5-12-22(4)21(26)19(18-10-8-9-11-18)23-13-15-24(16-14-23)20(25)17(6-2)7-3/h17-19H,5-16H2,1-4H3
InChIKeyXKRJWQRWGWDOLU-UHFFFAOYSA-N
XLogP2.99
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide (CID 24719893) is 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)C(CC)CC)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide?
The InChIKey is XKRJWQRWGWDOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-5-12-22(4)21(26)19(18-10-8-9-11-18)23-13-15-24(16-14-23)20(25)17(6-2)7-3/h17-19H,5-16H2,1-4H3.
What are the key properties of 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide?
2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide has a molecular weight of 365.56 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 24719893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).