2-(4-acetylpiperazin-1-yl)propanamide

C9H17N3O2 — CID 60644667

IUPAC2-(4-acetylpiperazin-1-yl)propanamide
SMILESCC(=O)N1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C9H17N3O2/c1-7(9(10)14)11-3-5-12(6-4-11)8(2)13/h7H,3-6H2,1-2H3,(H2,10,14)
InChIKeyMIUJPLJDUPSXMV-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.98
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)propanamide

2-(4-acetylpiperazin-1-yl)propanamide (PubChem CID 60644667) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)propanamide
PubChem CID60644667
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-(4-acetylpiperazin-1-yl)propanamide
SMILESCC(=O)N1CCN(C(C)C(N)=O)CC1
InChIInChI=1S/C9H17N3O2/c1-7(9(10)14)11-3-5-12(6-4-11)8(2)13/h7H,3-6H2,1-2H3,(H2,10,14)
InChIKeyMIUJPLJDUPSXMV-UHFFFAOYSA-N
XLogP-0.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.98
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)propanamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)propanamide (CID 60644667) is 2-(4-acetylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)propanamide is CC(=O)N1CCN(C(C)C(N)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)propanamide?
The InChIKey is MIUJPLJDUPSXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(9(10)14)11-3-5-12(6-4-11)8(2)13/h7H,3-6H2,1-2H3,(H2,10,14).
What are the key properties of 2-(4-acetylpiperazin-1-yl)propanamide?
2-(4-acetylpiperazin-1-yl)propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.98, 2 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)propanamide is sourced from PubChem (CID 60644667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).