2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone

C20H24N2O2 — CID 56549650

IUPAC2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone
SMILESCN(CC(=O)N1CCCCC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-21(16-20(23)22-14-8-3-9-15-22)18-12-6-7-13-19(18)24-17-10-4-2-5-11-17/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKeyLODKLGHMIKFGRT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.93
Rot. Bonds5

About 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone

2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone (PubChem CID 56549650) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone
PubChem CID56549650
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone
SMILESCN(CC(=O)N1CCCCC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-21(16-20(23)22-14-8-3-9-15-22)18-12-6-7-13-19(18)24-17-10-4-2-5-11-17/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKeyLODKLGHMIKFGRT-UHFFFAOYSA-N
XLogP3.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112
2-[2-(aminomethyl)-3-chloro-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 61441999
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one
CID 56549437
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
CID 113133616
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenoxyphenyl)methanesulfonamide
CID 30266355
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1120540

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone (CID 56549650) is 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone is CN(CC(=O)N1CCCCC1)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone?
The InChIKey is LODKLGHMIKFGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21(16-20(23)22-14-8-3-9-15-22)18-12-6-7-13-19(18)24-17-10-4-2-5-11-17/h2,4-7,10-13H,3,8-9,14-16H2,1H3.
What are the key properties of 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone?
2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone has a molecular weight of 324.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-2-phenoxyanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 56549650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).