2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

C25H31N3O3 — CID 54842850

IUPAC2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C25H31N3O3/c1-18(2)17-31-23-9-5-8-22(15-23)27-24(29)16-26-21-7-4-6-20(14-21)25(30)28-12-10-19(3)11-13-28/h4-9,14-15,19,26H,1,10-13,16-17H2,2-3H3,(H,27,29)
InChIKeyGEUBWMOFQSLHIM-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.56
Rot. Bonds8

About 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide

2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 54842850) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID54842850
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C25H31N3O3/c1-18(2)17-31-23-9-5-8-22(15-23)27-24(29)16-26-21-7-4-6-20(14-21)25(30)28-12-10-19(3)11-13-28/h4-9,14-15,19,26H,1,10-13,16-17H2,2-3H3,(H,27,29)
InChIKeyGEUBWMOFQSLHIM-UHFFFAOYSA-N
XLogP4.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843310
2-[3-(2-methylprop-2-enoxy)anilino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54826101
N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843222
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826640
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
2-(3-ethoxyanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54826455
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide (CID 54842850) is 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)N3CCC(C)CC3)c2)c1.
What is the InChIKey of 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is GEUBWMOFQSLHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18(2)17-31-23-9-5-8-22(15-23)27-24(29)16-26-21-7-4-6-20(14-21)25(30)28-12-10-19(3)11-13-28/h4-9,14-15,19,26H,1,10-13,16-17H2,2-3H3,(H,27,29).
What are the key properties of 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide?
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 54842850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).