2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide

C14H20ClN3O — CID 78787390

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-16(2)14(19)11-17-6-8-18(9-7-17)13-5-3-4-12(15)10-13/h3-5,10H,6-9,11H2,1-2H3
InChIKeyUEZAEZSIPWQWTA-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.55
Rot. Bonds3

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 78787390) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID78787390
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H20ClN3O/c1-16(2)14(19)11-17-6-8-18(9-7-17)13-5-3-4-12(15)10-13/h3-5,10H,6-9,11H2,1-2H3
InChIKeyUEZAEZSIPWQWTA-UHFFFAOYSA-N
XLogP1.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78782366
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 8529745
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
CID 62050562
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 110654229
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 78787390) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is UEZAEZSIPWQWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-16(2)14(19)11-17-6-8-18(9-7-17)13-5-3-4-12(15)10-13/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 281.79 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 78787390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).