2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide

C15H17ClN4O2 — CID 2117238

IUPAC2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C15H17ClN4O2/c1-11(21)20-6-4-19(5-7-20)10-15(22)18-13-3-2-12(9-17)14(16)8-13/h2-3,8H,4-7,10H2,1H3,(H,18,22)
InChIKeyDFOXLRSUYMANKR-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.31
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 2117238) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID2117238
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C15H17ClN4O2/c1-11(21)20-6-4-19(5-7-20)10-15(22)18-13-3-2-12(9-17)14(16)8-13/h2-3,8H,4-7,10H2,1H3,(H,18,22)
InChIKeyDFOXLRSUYMANKR-UHFFFAOYSA-N
XLogP1.31
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207918
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
N-(3-chloro-4-cyanophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46807779
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698398
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
N-(3-chloro-4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5043291

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide (CID 2117238) is 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is DFOXLRSUYMANKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-11(21)20-6-4-19(5-7-20)10-15(22)18-13-3-2-12(9-17)14(16)8-13/h2-3,8H,4-7,10H2,1H3,(H,18,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 320.78 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 2117238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).