4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide

C18H27N3O3S — CID 42886196

IUPAC4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C18H27N3O3S/c1-13(2)18(15-5-4-12-25-15)19-16(23)6-7-17(24)21-10-8-20(9-11-21)14(3)22/h4-5,12-13,18H,6-11H2,1-3H3,(H,19,23)
InChIKeySQCKUFJWKRZNMD-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.03
Rot. Bonds6

About 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide

4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide (PubChem CID 42886196) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide
PubChem CID42886196
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C18H27N3O3S/c1-13(2)18(15-5-4-12-25-15)19-16(23)6-7-17(24)21-10-8-20(9-11-21)14(3)22/h4-5,12-13,18H,6-11H2,1-3H3,(H,19,23)
InChIKeySQCKUFJWKRZNMD-UHFFFAOYSA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide (CID 42886196) is 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide is CC(=O)N1CCN(C(=O)CCC(=O)NC(c2cccs2)C(C)C)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide?
The InChIKey is SQCKUFJWKRZNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-13(2)18(15-5-4-12-25-15)19-16(23)6-7-17(24)21-10-8-20(9-11-21)14(3)22/h4-5,12-13,18H,6-11H2,1-3H3,(H,19,23).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide?
4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide has a molecular weight of 365.50 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)-4-oxobutanamide is sourced from PubChem (CID 42886196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).