N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide

C12H18ClN3OS — CID 106047885

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClN3OS/c13-11-2-1-10(18-11)3-4-15-12(17)9-16-7-5-14-6-8-16/h1-2,14H,3-9H2,(H,15,17)
InChIKeyMTNAXEFBNINFNL-UHFFFAOYSA-N
MW287.82 g/mol
LogP0.97
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide (PubChem CID 106047885) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
PubChem CID106047885
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H18ClN3OS/c13-11-2-1-10(18-11)3-4-15-12(17)9-16-7-5-14-6-8-16/h1-2,14H,3-9H2,(H,15,17)
InChIKeyMTNAXEFBNINFNL-UHFFFAOYSA-N
XLogP0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-sulfonamide
CID 106048154
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 28505813
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 106033376
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 106033257
2-(4-aminopyrazol-1-yl)-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 114138951

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide (CID 106047885) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide?
The InChIKey is MTNAXEFBNINFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c13-11-2-1-10(18-11)3-4-15-12(17)9-16-7-5-14-6-8-16/h1-2,14H,3-9H2,(H,15,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide has a molecular weight of 287.82 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 106047885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).