2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide

C23H26N4O2 — CID 113177261

IUPAC2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-10-12-26(13-11-17)21-6-8-22(9-7-21)27(18(2)28)16-23(29)25-20-5-3-4-19(14-20)15-24/h3-9,14,17H,10-13,16H2,1-2H3,(H,25,29)
InChIKeyRQEFNIXMTNPQMI-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.79
Rot. Bonds5

About 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide

2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide (PubChem CID 113177261) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide
PubChem CID113177261
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-10-12-26(13-11-17)21-6-8-22(9-7-21)27(18(2)28)16-23(29)25-20-5-3-4-19(14-20)15-24/h3-9,14,17H,10-13,16H2,1-2H3,(H,25,29)
InChIKeyRQEFNIXMTNPQMI-UHFFFAOYSA-N
XLogP3.79
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
2-(N-acetyl-3-chloro-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113172320
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
N-(3-cyanophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113180832
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)acetamide
CID 113177196
ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165761
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
CID 113168034
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide (CID 113177261) is 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide?
The InChIKey is RQEFNIXMTNPQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-10-12-26(13-11-17)21-6-8-22(9-7-21)27(18(2)28)16-23(29)25-20-5-3-4-19(14-20)15-24/h3-9,14,17H,10-13,16H2,1-2H3,(H,25,29).
What are the key properties of 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide?
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113177261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).