N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide

C14H23N3OS — CID 70047520

IUPACN-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide
SMILESCCCCc1csc(NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C14H23N3OS/c1-2-3-4-12-9-14(19-11-12)16-13(18)10-17-7-5-15-6-8-17/h9,11,15H,2-8,10H2,1H3,(H,16,18)
InChIKeySKOBDORBILAYEA-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.93
Rot. Bonds6

About N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide

N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide (PubChem CID 70047520) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide
PubChem CID70047520
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide
SMILESCCCCc1csc(NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C14H23N3OS/c1-2-3-4-12-9-14(19-11-12)16-13(18)10-17-7-5-15-6-8-17/h9,11,15H,2-8,10H2,1H3,(H,16,18)
InChIKeySKOBDORBILAYEA-UHFFFAOYSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide (CID 70047520) is N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide is CCCCc1csc(NC(=O)CN2CCNCC2)c1.
What is the InChIKey of N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide?
The InChIKey is SKOBDORBILAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-3-4-12-9-14(19-11-12)16-13(18)10-17-7-5-15-6-8-17/h9,11,15H,2-8,10H2,1H3,(H,16,18).
What are the key properties of N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide?
N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide has a molecular weight of 281.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylthiophen-2-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 70047520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).