N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide

C18H24FN3OS — CID 142665910

IUPACN-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide
SMILESCC(=O)NCCCCN1CCNCC1c1csc2cc(F)ccc12
InChIInChI=1S/C18H24FN3OS/c1-13(23)21-6-2-3-8-22-9-7-20-11-17(22)16-12-24-18-10-14(19)4-5-15(16)18/h4-5,10,12,17,20H,2-3,6-9,11H2,1H3,(H,21,23)
InChIKeyJYIAYCQKJXACHB-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.90
Rot. Bonds6

About N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide

N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide (PubChem CID 142665910) has the molecular formula C18H24FN3OS and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide
PubChem CID142665910
Molecular FormulaC18H24FN3OS
Molecular Weight349.48 g/mol
Exact Mass349.16
IUPAC NameN-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide
SMILESCC(=O)NCCCCN1CCNCC1c1csc2cc(F)ccc12
InChIInChI=1S/C18H24FN3OS/c1-13(23)21-6-2-3-8-22-9-7-20-11-17(22)16-12-24-18-10-14(19)4-5-15(16)18/h4-5,10,12,17,20H,2-3,6-9,11H2,1H3,(H,21,23)
InChIKeyJYIAYCQKJXACHB-UHFFFAOYSA-N
XLogP2.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
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-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide?
The IUPAC name of N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide (CID 142665910) is N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide.
What is the SMILES notation for N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide?
The canonical SMILES for N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide is CC(=O)NCCCCN1CCNCC1c1csc2cc(F)ccc12.
What is the InChIKey of N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide?
The InChIKey is JYIAYCQKJXACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3OS/c1-13(23)21-6-2-3-8-22-9-7-20-11-17(22)16-12-24-18-10-14(19)4-5-15(16)18/h4-5,10,12,17,20H,2-3,6-9,11H2,1H3,(H,21,23).
What are the key properties of N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide?
N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide is sourced from PubChem (CID 142665910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).