2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide

C22H29N3O — CID 37221892

IUPAC2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2ccc(N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-23-19-7-9-20(10-8-19)25-11-5-4-6-12-25/h7-10,13-14,23H,4-6,11-12,15H2,1-3H3,(H,24,26)
InChIKeyKEJCOGDRJJLNMI-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.65
Rot. Bonds5

About 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 37221892) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID37221892
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2ccc(N3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-23-19-7-9-20(10-8-19)25-11-5-4-6-12-25/h7-10,13-14,23H,4-6,11-12,15H2,1-3H3,(H,24,26)
InChIKeyKEJCOGDRJJLNMI-UHFFFAOYSA-N
XLogP4.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009591
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 37221892) is 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNc2ccc(N3CCCCC3)cc2)c(C)c1.
What is the InChIKey of 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is KEJCOGDRJJLNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-23-19-7-9-20(10-8-19)25-11-5-4-6-12-25/h7-10,13-14,23H,4-6,11-12,15H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 351.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 37221892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).