1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone

C22H28N2O2 — CID 54823733

IUPAC1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone
SMILESCC1CCN(C(=O)CNc2ccc(OCCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-18-11-14-24(15-12-18)22(25)17-23-20-7-9-21(10-8-20)26-16-13-19-5-3-2-4-6-19/h2-10,18,23H,11-17H2,1H3
InChIKeyQAGSHUWUGWOVCY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.98
Rot. Bonds7

About 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone

1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone (PubChem CID 54823733) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone
PubChem CID54823733
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone
SMILESCC1CCN(C(=O)CNc2ccc(OCCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-18-11-14-24(15-12-18)22(25)17-23-20-7-9-21(10-8-20)26-16-13-19-5-3-2-4-6-19/h2-10,18,23H,11-17H2,1H3
InChIKeyQAGSHUWUGWOVCY-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54825440
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
CID 54825335
ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
CID 54822989
N-butan-2-yl-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823902
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54823876
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone (CID 54823733) is 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone is CC1CCN(C(=O)CNc2ccc(OCCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone?
The InChIKey is QAGSHUWUGWOVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-11-14-24(15-12-18)22(25)17-23-20-7-9-21(10-8-20)26-16-13-19-5-3-2-4-6-19/h2-10,18,23H,11-17H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone?
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone has a molecular weight of 352.48 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone is sourced from PubChem (CID 54823733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).