1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone

C20H24N2O2 — CID 3973578

IUPAC1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
SMILESCc1ccc(NC2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-7-9-17(10-8-16)21-18-11-13-22(14-12-18)20(23)15-24-19-5-3-2-4-6-19/h2-10,18,21H,11-15H2,1H3
InChIKeyRCYMFFXGCPFBHM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.48
Rot. Bonds5

About 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone

1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 3973578) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
PubChem CID3973578
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone
SMILESCc1ccc(NC2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-7-9-17(10-8-16)21-18-11-13-22(14-12-18)20(23)15-24-19-5-3-2-4-6-19/h2-10,18,21H,11-15H2,1H3
InChIKeyRCYMFFXGCPFBHM-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
phenyl 4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110365947
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548756
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
3-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-N-phenylpropanamide
CID 110422037
2-(1,3-dioxoisoindol-2-yl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551994

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone (CID 3973578) is 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone is Cc1ccc(NC2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is RCYMFFXGCPFBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-7-9-17(10-8-16)21-18-11-13-22(14-12-18)20(23)15-24-19-5-3-2-4-6-19/h2-10,18,21H,11-15H2,1H3.
What are the key properties of 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone?
1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 324.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylanilino)piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 3973578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).