N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide

C19H22ClN3O2S — CID 45218563

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccs1)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2S/c20-15-4-1-3-14(11-15)6-7-21-18(24)12-17-19(25)22-8-9-23(17)13-16-5-2-10-26-16/h1-5,10-11,17H,6-9,12-13H2,(H,21,24)(H,22,25)
InChIKeyZFXXCZYNLLZUHL-UHFFFAOYSA-N
MW391.92 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide (PubChem CID 45218563) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
PubChem CID45218563
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccs1)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2S/c20-15-4-1-3-14(11-15)6-7-21-18(24)12-17-19(25)22-8-9-23(17)13-16-5-2-10-26-16/h1-5,10-11,17H,6-9,12-13H2,(H,21,24)(H,22,25)
InChIKeyZFXXCZYNLLZUHL-UHFFFAOYSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 42308103
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45249769
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95714026
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 95728501
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 26393409
methyl 2-[(2R)-1-[(3-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231928
N-[2-(3-fluorophenyl)ethyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 42393367
N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24791715
2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 42243912
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45247717
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide (CID 45218563) is N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1cccs1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The InChIKey is ZFXXCZYNLLZUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-15-4-1-3-14(11-15)6-7-21-18(24)12-17-19(25)22-8-9-23(17)13-16-5-2-10-26-16/h1-5,10-11,17H,6-9,12-13H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide has a molecular weight of 391.92 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 45218563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).