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

C29H33N3O4 — CID 54830898

IUPAC2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NCC(=O)Nc3cccc(OCCOc4ccccc4)c3)cc2)CC1
InChIInChI=1S/C29H33N3O4/c1-22-14-16-32(17-15-22)29(34)23-10-12-24(13-11-23)30-21-28(33)31-25-6-5-9-27(20-25)36-19-18-35-26-7-3-2-4-8-26/h2-13,20,22,30H,14-19,21H2,1H3,(H,31,33)
InChIKeyITIZCIWQPIKSLQ-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.07
Rot. Bonds10

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

2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54830898) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54830898
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NCC(=O)Nc3cccc(OCCOc4ccccc4)c3)cc2)CC1
InChIInChI=1S/C29H33N3O4/c1-22-14-16-32(17-15-22)29(34)23-10-12-24(13-11-23)30-21-28(33)31-25-6-5-9-27(20-25)36-19-18-35-26-7-3-2-4-8-26/h2-13,20,22,30H,14-19,21H2,1H3,(H,31,33)
InChIKeyITIZCIWQPIKSLQ-UHFFFAOYSA-N
XLogP5.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830769
2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54822272
N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843222
2-(3-ethoxyanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54826455
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826640
2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54820582
N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841655
N-[3-(2-ethoxyethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841594

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide (CID 54830898) is 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide is CC1CCN(C(=O)c2ccc(NCC(=O)Nc3cccc(OCCOc4ccccc4)c3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is ITIZCIWQPIKSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-22-14-16-32(17-15-22)29(34)23-10-12-24(13-11-23)30-21-28(33)31-25-6-5-9-27(20-25)36-19-18-35-26-7-3-2-4-8-26/h2-13,20,22,30H,14-19,21H2,1H3,(H,31,33).
What are the key properties of 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide?
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54830898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).