4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide

C20H21N3OS — CID 11588358

IUPAC4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C20H21N3OS/c24-20(21-17-6-2-1-3-7-17)23-12-10-22(11-13-23)14-16-15-25-19-9-5-4-8-18(16)19/h1-9,15H,10-14H2,(H,21,24)
InChIKeyADDKVUZIJTWXLE-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.25
Rot. Bonds3

About 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide

4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 11588358) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide
PubChem CID11588358
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2csc3ccccc23)CC1
InChIInChI=1S/C20H21N3OS/c24-20(21-17-6-2-1-3-7-17)23-12-10-22(11-13-23)14-16-15-25-19-9-5-4-8-18(16)19/h1-9,15H,10-14H2,(H,21,24)
InChIKeyADDKVUZIJTWXLE-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-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 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide (CID 11588358) is 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2csc3ccccc23)CC1.
What is the InChIKey of 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is ADDKVUZIJTWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-20(21-17-6-2-1-3-7-17)23-12-10-22(11-13-23)14-16-15-25-19-9-5-4-8-18(16)19/h1-9,15H,10-14H2,(H,21,24).
What are the key properties of 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide?
4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylmethyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11588358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).