2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide

C16H29N3O2 — CID 91634873

IUPAC2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide
SMILESCCCNC(=O)C(C1CCCC1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H29N3O2/c1-3-8-17-16(21)15(14-6-4-5-7-14)19-11-9-18(10-12-19)13(2)20/h14-15H,3-12H2,1-2H3,(H,17,21)
InChIKeyXGRLDVTXZAYZPQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.24
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide

2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide (PubChem CID 91634873) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide
PubChem CID91634873
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide
SMILESCCCNC(=O)C(C1CCCC1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H29N3O2/c1-3-8-17-16(21)15(14-6-4-5-7-14)19-11-9-18(10-12-19)13(2)20/h14-15H,3-12H2,1-2H3,(H,17,21)
InChIKeyXGRLDVTXZAYZPQ-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide (CID 91634873) is 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide is CCCNC(=O)C(C1CCCC1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide?
The InChIKey is XGRLDVTXZAYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-8-17-16(21)15(14-6-4-5-7-14)19-11-9-18(10-12-19)13(2)20/h14-15H,3-12H2,1-2H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide?
2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide has a molecular weight of 295.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-propylacetamide is sourced from PubChem (CID 91634873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).