N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide

C14H17N3OS — CID 2971591

IUPACN-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide
SMILESCN1CCN(NC(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C14H17N3OS/c1-16-6-8-17(9-7-16)15-14(18)12-10-19-13-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3,(H,15,18)
InChIKeyWVBWZDBEWVXLNM-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.79
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide

N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide (PubChem CID 2971591) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide
PubChem CID2971591
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide
SMILESCN1CCN(NC(=O)c2csc3ccccc23)CC1
InChIInChI=1S/C14H17N3OS/c1-16-6-8-17(9-7-16)15-14(18)12-10-19-13-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3,(H,15,18)
InChIKeyWVBWZDBEWVXLNM-UHFFFAOYSA-N
XLogP1.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide (CID 2971591) is N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide is CN1CCN(NC(=O)c2csc3ccccc23)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is WVBWZDBEWVXLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-16-6-8-17(9-7-16)15-14(18)12-10-19-13-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3,(H,15,18).
What are the key properties of N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide?
N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2971591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).