2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide

C21H26N4O2 — CID 109009928

IUPAC2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N4O2/c1-16(26)23-19-7-5-6-18(14-19)22-15-21(27)24-17-8-10-20(11-9-17)25-12-3-2-4-13-25/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,23,26)(H,24,27)
InChIKeySAQJSRMZVWVVNQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.69
Rot. Bonds6

About 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide

2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 109009928) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID109009928
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N4O2/c1-16(26)23-19-7-5-6-18(14-19)22-15-21(27)24-17-8-10-20(11-9-17)25-12-3-2-4-13-25/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,23,26)(H,24,27)
InChIKeySAQJSRMZVWVVNQ-UHFFFAOYSA-N
XLogP3.69
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.69
H-Bond Donors ≤ 53
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

methyl 3-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 51110852
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide (CID 109009928) is 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is SAQJSRMZVWVVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16(26)23-19-7-5-6-18(14-19)22-15-21(27)24-17-8-10-20(11-9-17)25-12-3-2-4-13-25/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 109009928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).