N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide

C15H24ClN3OS — CID 58780663

IUPACN-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)C(C)c1cc(Cl)sc1N1CCNCC1
InChIInChI=1S/C15H24ClN3OS/c1-10(2)19(12(4)20)11(3)13-9-14(16)21-15(13)18-7-5-17-6-8-18/h9-11,17H,5-8H2,1-4H3
InChIKeyXIAKFKOHYCRGGY-UHFFFAOYSA-N
MW329.90 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide

N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide (PubChem CID 58780663) has the molecular formula C15H24ClN3OS and a molecular weight of 329.90 g/mol. Its IUPAC name is N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide
PubChem CID58780663
Molecular FormulaC15H24ClN3OS
Molecular Weight329.90 g/mol
Exact Mass329.13
IUPAC NameN-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C(C)C)C(C)c1cc(Cl)sc1N1CCNCC1
InChIInChI=1S/C15H24ClN3OS/c1-10(2)19(12(4)20)11(3)13-9-14(16)21-15(13)18-7-5-17-6-8-18/h9-11,17H,5-8H2,1-4H3
InChIKeyXIAKFKOHYCRGGY-UHFFFAOYSA-N
XLogP3.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.90
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide (CID 58780663) is N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide is CC(=O)N(C(C)C)C(C)c1cc(Cl)sc1N1CCNCC1.
What is the InChIKey of N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide?
The InChIKey is XIAKFKOHYCRGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3OS/c1-10(2)19(12(4)20)11(3)13-9-14(16)21-15(13)18-7-5-17-6-8-18/h9-11,17H,5-8H2,1-4H3.
What are the key properties of N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide?
N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide has a molecular weight of 329.90 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-piperazin-1-ylthiophen-3-yl)ethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 58780663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).