N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C22H24N4O3 — CID 113180909

IUPACN-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CN(C(C)=O)c3cccc(C#N)c3)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-17(27)26(20-5-3-4-18(14-20)15-23)16-22(28)25-12-10-24(11-13-25)19-6-8-21(29-2)9-7-19/h3-9,14H,10-13,16H2,1-2H3
InChIKeyFRNGMKVBLVGOHV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.27
Rot. Bonds5

About N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113180909) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113180909
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CN(C(C)=O)c3cccc(C#N)c3)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-17(27)26(20-5-3-4-18(14-20)15-23)16-22(28)25-12-10-24(11-13-25)19-6-8-21(29-2)9-7-19/h3-9,14H,10-13,16H2,1-2H3
InChIKeyFRNGMKVBLVGOHV-UHFFFAOYSA-N
XLogP2.27
TPSA76.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113180842
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113180832
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113177614
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158386
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)acetamide
CID 113173316
ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 113173356
N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
CID 121012223
N-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159295
2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 113180958
N-(4-ethoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173909
N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113064274

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113180909) is N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is COc1ccc(N2CCN(C(=O)CN(C(C)=O)c3cccc(C#N)c3)CC2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is FRNGMKVBLVGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-17(27)26(20-5-3-4-18(14-20)15-23)16-22(28)25-12-10-24(11-13-25)19-6-8-21(29-2)9-7-19/h3-9,14H,10-13,16H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113180909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).