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

C22H29N3O — CID 9100126

IUPAC2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2ccccc2N2CCCCC2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-23-19-9-5-6-10-20(19)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26)
InChIKeyBJKJAQQZTVWKQE-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.65
Rot. Bonds5

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

2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9100126) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9100126
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2ccccc2N2CCCCC2)c(C)c1
InChIInChI=1S/C22H29N3O/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-23-19-9-5-6-10-20(19)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26)
InChIKeyBJKJAQQZTVWKQE-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

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Related Compounds

2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-piperidin-1-ylanilino)acetamide
CID 24511149
N-naphthalen-2-yl-2-(2-piperidin-1-ylanilino)acetamide
CID 9100114
N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 24511146
N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100145
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
CID 36588357
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100097
N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4818734

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 9100126) is 2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNc2ccccc2N2CCCCC2)c(C)c1.
What is the InChIKey of 2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BJKJAQQZTVWKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-13-17(2)22(18(3)14-16)24-21(26)15-23-19-9-5-6-10-20(19)25-11-7-4-8-12-25/h5-6,9-10,13-14,23H,4,7-8,11-12,15H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(2-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-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9100126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).