2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C18H25N5O3S — CID 55410072

IUPAC2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C18H25N5O3S/c1-3-6-23(12-16-19-20-18(26-16)15-5-4-11-27-15)17(25)13-21-7-9-22(10-8-21)14(2)24/h4-5,11H,3,6-10,12-13H2,1-2H3
InChIKeyHIZCBGLPRGUXMZ-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.70
Rot. Bonds7

About 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 55410072) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID55410072
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(C(C)=O)CC1
InChIInChI=1S/C18H25N5O3S/c1-3-6-23(12-16-19-20-18(26-16)15-5-4-11-27-15)17(25)13-21-7-9-22(10-8-21)14(2)24/h4-5,11H,3,6-10,12-13H2,1-2H3
InChIKeyHIZCBGLPRGUXMZ-UHFFFAOYSA-N
XLogP1.70
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 55410072) is 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is HIZCBGLPRGUXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-6-23(12-16-19-20-18(26-16)15-5-4-11-27-15)17(25)13-21-7-9-22(10-8-21)14(2)24/h4-5,11H,3,6-10,12-13H2,1-2H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 391.50 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 55410072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).