N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide

C25H29N3OS — CID 155567045

IUPACN-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H29N3OS/c29-25(22-10-8-21(9-11-22)23-12-19-30-20-23)26-13-4-5-14-27-15-17-28(18-16-27)24-6-2-1-3-7-24/h1-3,6-12,19-20H,4-5,13-18H2,(H,26,29)
InChIKeyWAOBJIAOTFLXLR-UHFFFAOYSA-N
MW419.59 g/mol
LogP4.75
Rot. Bonds8

About N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide

N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide (PubChem CID 155567045) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide
PubChem CID155567045
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC NameN-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H29N3OS/c29-25(22-10-8-21(9-11-22)23-12-19-30-20-23)26-13-4-5-14-27-15-17-28(18-16-27)24-6-2-1-3-7-24/h1-3,6-12,19-20H,4-5,13-18H2,(H,26,29)
InChIKeyWAOBJIAOTFLXLR-UHFFFAOYSA-N
XLogP4.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide (CID 155567045) is N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide is O=C(NCCCCN1CCN(c2ccccc2)CC1)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide?
The InChIKey is WAOBJIAOTFLXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c29-25(22-10-8-21(9-11-22)23-12-19-30-20-23)26-13-4-5-14-27-15-17-28(18-16-27)24-6-2-1-3-7-24/h1-3,6-12,19-20H,4-5,13-18H2,(H,26,29).
What are the key properties of N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide?
N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide has a molecular weight of 419.59 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazin-1-yl)butyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 155567045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).