2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C18H21ClN4O2S — CID 120770996

IUPAC2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCNCC1c1cccc(Cl)c1)NC(=O)NCc1cccs1
InChIInChI=1S/C18H21ClN4O2S/c19-14-4-1-3-13(9-14)16-11-20-6-7-23(16)12-17(24)22-18(25)21-10-15-5-2-8-26-15/h1-5,8-9,16,20H,6-7,10-12H2,(H2,21,22,24,25)
InChIKeyACNWXFYBSIVGDU-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.37
Rot. Bonds5

About 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 120770996) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID120770996
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCNCC1c1cccc(Cl)c1)NC(=O)NCc1cccs1
InChIInChI=1S/C18H21ClN4O2S/c19-14-4-1-3-13(9-14)16-11-20-6-7-23(16)12-17(24)22-18(25)21-10-15-5-2-8-26-15/h1-5,8-9,16,20H,6-7,10-12H2,(H2,21,22,24,25)
InChIKeyACNWXFYBSIVGDU-UHFFFAOYSA-N
XLogP2.37
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 120770787
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777
N-[(3-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756501
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 120771238
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 120771058
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 120770996) is 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(CN1CCNCC1c1cccc(Cl)c1)NC(=O)NCc1cccs1.
What is the InChIKey of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is ACNWXFYBSIVGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-14-4-1-3-13(9-14)16-11-20-6-7-23(16)12-17(24)22-18(25)21-10-15-5-2-8-26-15/h1-5,8-9,16,20H,6-7,10-12H2,(H2,21,22,24,25).
What are the key properties of 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 392.91 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 120770996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).