2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide

C17H23BrN4OS — CID 9258881

IUPAC2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CN2CCN(Cc3ccc(Br)s3)CC2)CCCC1
InChIInChI=1S/C17H23BrN4OS/c18-15-4-3-14(24-15)11-21-7-9-22(10-8-21)12-16(23)20-17(13-19)5-1-2-6-17/h3-4H,1-2,5-12H2,(H,20,23)
InChIKeyWGSINBJUCGDPEX-UHFFFAOYSA-N
MW411.37 g/mol
LogP2.58
Rot. Bonds5

About 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide

2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 9258881) has the molecular formula C17H23BrN4OS and a molecular weight of 411.37 g/mol. Its IUPAC name is 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
PubChem CID9258881
Molecular FormulaC17H23BrN4OS
Molecular Weight411.37 g/mol
Exact Mass410.08
IUPAC Name2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CN2CCN(Cc3ccc(Br)s3)CC2)CCCC1
InChIInChI=1S/C17H23BrN4OS/c18-15-4-3-14(24-15)11-21-7-9-22(10-8-21)12-16(23)20-17(13-19)5-1-2-6-17/h3-4H,1-2,5-12H2,(H,20,23)
InChIKeyWGSINBJUCGDPEX-UHFFFAOYSA-N
XLogP2.58
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide (CID 9258881) is 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CN2CCN(Cc3ccc(Br)s3)CC2)CCCC1.
What is the InChIKey of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is WGSINBJUCGDPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4OS/c18-15-4-3-14(24-15)11-21-7-9-22(10-8-21)12-16(23)20-17(13-19)5-1-2-6-17/h3-4H,1-2,5-12H2,(H,20,23).
What are the key properties of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 411.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 9258881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).