2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

C21H25N3O3 — CID 54812026

IUPAC2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-19-10-8-17(9-11-19)22-15-20(25)23-18-7-5-6-16(14-18)21(26)24-12-3-2-4-13-24/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,23,25)
InChIKeyWRUKWWDQKJVPDB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54812026) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54812026
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-19-10-8-17(9-11-19)22-15-20(25)23-18-7-5-6-16(14-18)21(26)24-12-3-2-4-13-24/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,23,25)
InChIKeyWRUKWWDQKJVPDB-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.37
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-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085577
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54837855
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54824283
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromoanilino)acetamide
CID 54810997
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (CID 54812026) is 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is COc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is WRUKWWDQKJVPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-10-8-17(9-11-19)22-15-20(25)23-18-7-5-6-16(14-18)21(26)24-12-3-2-4-13-24/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,23,25).
What are the key properties of 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54812026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).