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

C18H24FN3OS — CID 18980225

IUPACN-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide
SMILESCC(=O)NCCCCN1CCN(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C18H24FN3OS/c1-14(23)20-6-2-3-7-21-8-10-22(11-9-21)17-13-24-18-12-15(19)4-5-16(17)18/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,23)
InChIKeyGGKBHTHGUNWPJY-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.08
Rot. Bonds6

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

N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide (PubChem CID 18980225) has the molecular formula C18H24FN3OS and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide
PubChem CID18980225
Molecular FormulaC18H24FN3OS
Molecular Weight349.48 g/mol
Exact Mass349.16
IUPAC NameN-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide
SMILESCC(=O)NCCCCN1CCN(c2csc3cc(F)ccc23)CC1
InChIInChI=1S/C18H24FN3OS/c1-14(23)20-6-2-3-7-21-8-10-22(11-9-21)17-13-24-18-12-15(19)4-5-16(17)18/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,23)
InChIKeyGGKBHTHGUNWPJY-UHFFFAOYSA-N
XLogP3.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.08
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-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide?
The IUPAC name of N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide (CID 18980225) is N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide.
What is the SMILES notation for N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide?
The canonical SMILES for N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide is CC(=O)NCCCCN1CCN(c2csc3cc(F)ccc23)CC1.
What is the InChIKey of N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide?
The InChIKey is GGKBHTHGUNWPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3OS/c1-14(23)20-6-2-3-7-21-8-10-22(11-9-21)17-13-24-18-12-15(19)4-5-16(17)18/h4-5,12-13H,2-3,6-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide?
N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]acetamide is sourced from PubChem (CID 18980225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).