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

C29H33N3O3 — CID 54823709

IUPACN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(OCCc4ccccc4)cc3)c2)CC1
InChIInChI=1S/C29H33N3O3/c1-22-14-17-32(18-15-22)29(34)24-8-5-9-26(20-24)31-28(33)21-30-25-10-12-27(13-11-25)35-19-16-23-6-3-2-4-7-23/h2-13,20,22,30H,14-19,21H2,1H3,(H,31,33)
InChIKeyBRYZBWVXJLZFQI-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.23
Rot. Bonds9

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

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide (PubChem CID 54823709) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
PubChem CID54823709
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(OCCc4ccccc4)cc3)c2)CC1
InChIInChI=1S/C29H33N3O3/c1-22-14-17-32(18-15-22)29(34)24-8-5-9-26(20-24)31-28(33)21-30-25-10-12-27(13-11-25)35-19-16-23-6-3-2-4-7-23/h2-13,20,22,30H,14-19,21H2,1H3,(H,31,33)
InChIKeyBRYZBWVXJLZFQI-UHFFFAOYSA-N
XLogP5.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54822272
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54820582
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54825491
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826640
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide (CID 54823709) is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide is CC1CCN(C(=O)c2cccc(NC(=O)CNc3ccc(OCCc4ccccc4)cc3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide?
The InChIKey is BRYZBWVXJLZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-22-14-17-32(18-15-22)29(34)24-8-5-9-26(20-24)31-28(33)21-30-25-10-12-27(13-11-25)35-19-16-23-6-3-2-4-7-23/h2-13,20,22,30H,14-19,21H2,1H3,(H,31,33).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide?
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide has a molecular weight of 471.60 g/mol, XLogP of 5.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide is sourced from PubChem (CID 54823709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).