2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide

C23H27N3O3 — CID 113175689

IUPAC2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C(C)=O)cc1
InChIInChI=1S/C23H27N3O3/c1-17(27)19-6-10-22(11-7-19)26(18(2)28)16-23(29)24-20-8-12-21(13-9-20)25-14-4-3-5-15-25/h6-13H,3-5,14-16H2,1-2H3,(H,24,29)
InChIKeyISYHWDYAAGSHGV-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.87
Rot. Bonds6

About 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide

2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 113175689) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID113175689
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C(C)=O)cc1
InChIInChI=1S/C23H27N3O3/c1-17(27)19-6-10-22(11-7-19)26(18(2)28)16-23(29)24-20-8-12-21(13-9-20)25-14-4-3-5-15-25/h6-13H,3-5,14-16H2,1-2H3,(H,24,29)
InChIKeyISYHWDYAAGSHGV-UHFFFAOYSA-N
XLogP3.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.87
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

N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048
N-(4-acetylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409479
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113170522
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113177074

Frequently Asked Questions

What is the IUPAC name of 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide (CID 113175689) is 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide is CC(=O)c1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C(C)=O)cc1.
What is the InChIKey of 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is ISYHWDYAAGSHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(27)19-6-10-22(11-7-19)26(18(2)28)16-23(29)24-20-8-12-21(13-9-20)25-14-4-3-5-15-25/h6-13H,3-5,14-16H2,1-2H3,(H,24,29).
What are the key properties of 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113175689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).