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

C16H24ClN3O — CID 120770817

IUPACN-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-3-12(2)19-16(21)11-20-8-7-18-10-15(20)13-5-4-6-14(17)9-13/h4-6,9,12,15,18H,3,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyXRVMELIOHNYFML-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.20
Rot. Bonds5

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

N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide (PubChem CID 120770817) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
PubChem CID120770817
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-3-12(2)19-16(21)11-20-8-7-18-10-15(20)13-5-4-6-14(17)9-13/h4-6,9,12,15,18H,3,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyXRVMELIOHNYFML-UHFFFAOYSA-N
XLogP2.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
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
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 120771058
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-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 120771238
N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120771171
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
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 120756468

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide (CID 120770817) is N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide?
The InChIKey is XRVMELIOHNYFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-12(2)19-16(21)11-20-8-7-18-10-15(20)13-5-4-6-14(17)9-13/h4-6,9,12,15,18H,3,7-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120770817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).