2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide

C17H25ClN4O2 — CID 120770920

IUPAC2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CN1CCNCC1c1cccc(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C17H25ClN4O2/c1-12(17(24)21(2)3)20-16(23)11-22-8-7-19-10-15(22)13-5-4-6-14(18)9-13/h4-6,9,12,15,19H,7-8,10-11H2,1-3H3,(H,20,23)
InChIKeyXYNCAWRPGMGPHL-UHFFFAOYSA-N
MW352.87 g/mol
LogP0.88
Rot. Bonds5

About 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide

2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 120770920) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
PubChem CID120770920
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CN1CCNCC1c1cccc(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C17H25ClN4O2/c1-12(17(24)21(2)3)20-16(23)11-22-8-7-19-10-15(22)13-5-4-6-14(18)9-13/h4-6,9,12,15,19H,7-8,10-11H2,1-3H3,(H,20,23)
InChIKeyXYNCAWRPGMGPHL-UHFFFAOYSA-N
XLogP0.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 120770787
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 120771058
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 120771242
N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120771171
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 120771238
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide (CID 120770920) is 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide is CC(NC(=O)CN1CCNCC1c1cccc(Cl)c1)C(=O)N(C)C.
What is the InChIKey of 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is XYNCAWRPGMGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-12(17(24)21(2)3)20-16(23)11-22-8-7-19-10-15(22)13-5-4-6-14(18)9-13/h4-6,9,12,15,19H,7-8,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide?
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 352.87 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 120770920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).