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

C21H25N3O2 — CID 54810526

IUPAC2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccccc3)c2)CC1
InChIInChI=1S/C21H25N3O2/c1-16-10-12-24(13-11-16)21(26)17-6-5-9-19(14-17)23-20(25)15-22-18-7-3-2-4-8-18/h2-9,14,16,22H,10-13,15H2,1H3,(H,23,25)
InChIKeyPCXTYPOFHABNLP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.61
Rot. Bonds5

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

2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54810526) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID54810526
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3ccccc3)c2)CC1
InChIInChI=1S/C21H25N3O2/c1-16-10-12-24(13-11-16)21(26)17-6-5-9-19(14-17)23-20(25)15-22-18-7-3-2-4-8-18/h2-9,14,16,22H,10-13,15H2,1H3,(H,23,25)
InChIKeyPCXTYPOFHABNLP-UHFFFAOYSA-N
XLogP3.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813365
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-(2-bromoanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54816568
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834474
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide
CID 54823206
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826640

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54810526) is 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC1CCN(C(=O)c2cccc(NC(=O)CNc3ccccc3)c2)CC1.
What is the InChIKey of 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is PCXTYPOFHABNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-10-12-24(13-11-16)21(26)17-6-5-9-19(14-17)23-20(25)15-22-18-7-3-2-4-8-18/h2-9,14,16,22H,10-13,15H2,1H3,(H,23,25).
What are the key properties of 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54810526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).