2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C22H27N3O2 — CID 109009876

IUPAC2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-11-13-25(14-12-16)21-9-7-20(8-10-21)24-22(27)15-23-19-5-3-18(4-6-19)17(2)26/h3-10,16,23H,11-15H2,1-2H3,(H,24,27)
InChIKeyHBCYCZPQNRUPIT-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.18
Rot. Bonds6

About 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 109009876) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID109009876
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-11-13-25(14-12-16)21-9-7-20(8-10-21)24-22(27)15-23-19-5-3-18(4-6-19)17(2)26/h3-10,16,23H,11-15H2,1-2H3,(H,24,27)
InChIKeyHBCYCZPQNRUPIT-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
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

ethyl 4-[[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010573
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 108995156
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109010555
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809840
3,4-difluoro-N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]benzamide
CID 113000247
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 109009876) is 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CC(=O)c1ccc(NCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is HBCYCZPQNRUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-11-13-25(14-12-16)21-9-7-20(8-10-21)24-22(27)15-23-19-5-3-18(4-6-19)17(2)26/h3-10,16,23H,11-15H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 109009876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).