N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide

C19H23N3O2S — CID 110397782

IUPACN-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2S/c23-18(15-17-7-4-14-25-17)20-8-9-21-10-12-22(13-11-21)19(24)16-5-2-1-3-6-16/h1-7,14H,8-13,15H2,(H,20,23)
InChIKeyGZACDGJIQDFNMR-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110397782) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID110397782
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2S/c23-18(15-17-7-4-14-25-17)20-8-9-21-10-12-22(13-11-21)19(24)16-5-2-1-3-6-16/h1-7,14H,8-13,15H2,(H,20,23)
InChIKeyGZACDGJIQDFNMR-UHFFFAOYSA-N
XLogP1.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110397785
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
CID 71782823
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]pyridine-4-carboxamide
CID 108542045
N-[2-(3-oxomorpholin-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110722581
1-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802567
N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 139726376

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide (CID 110397782) is N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is GZACDGJIQDFNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(15-17-7-4-14-25-17)20-8-9-21-10-12-22(13-11-21)19(24)16-5-2-1-3-6-16/h1-7,14H,8-13,15H2,(H,20,23).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 357.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110397782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).