N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide

C17H23N3O3 — CID 24685236

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C17H23N3O3/c1-13(21)18-16(15-6-4-3-5-7-15)12-17(23)20-10-8-19(9-11-20)14(2)22/h3-7,16H,8-12H2,1-2H3,(H,18,21)
InChIKeyDIDXXMWCLMVNPY-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.94
Rot. Bonds4

About N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide (PubChem CID 24685236) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
PubChem CID24685236
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C17H23N3O3/c1-13(21)18-16(15-6-4-3-5-7-15)12-17(23)20-10-8-19(9-11-20)14(2)22/h3-7,16H,8-12H2,1-2H3,(H,18,21)
InChIKeyDIDXXMWCLMVNPY-UHFFFAOYSA-N
XLogP0.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide (CID 24685236) is N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide is CC(=O)NC(CC(=O)N1CCN(C(C)=O)CC1)c1ccccc1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is DIDXXMWCLMVNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)18-16(15-6-4-3-5-7-15)12-17(23)20-10-8-19(9-11-20)14(2)22/h3-7,16H,8-12H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 24685236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).