1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone

C23H31N3O2 — CID 45244535

IUPAC1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
SMILESCCc1nc(C)ccc1OCC(=O)N1CCCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C23H31N3O2/c1-4-21-22(13-12-18(2)24-21)28-17-23(27)26-14-8-11-20(16-26)25(3)15-19-9-6-5-7-10-19/h5-7,9-10,12-13,20H,4,8,11,14-17H2,1-3H3
InChIKeyIFSCFFMOSDUKJW-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.45
Rot. Bonds7

About 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone

1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone (PubChem CID 45244535) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone.

Molecular Properties

Compound Name1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
PubChem CID45244535
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
SMILESCCc1nc(C)ccc1OCC(=O)N1CCCC(N(C)Cc2ccccc2)C1
InChIInChI=1S/C23H31N3O2/c1-4-21-22(13-12-18(2)24-21)28-17-23(27)26-14-8-11-20(16-26)25(3)15-19-9-6-5-7-10-19/h5-7,9-10,12-13,20H,4,8,11,14-17H2,1-3H3
InChIKeyIFSCFFMOSDUKJW-UHFFFAOYSA-N
XLogP3.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone with MolForge

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Related Compounds

N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide
CID 42516722
3-[(3R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-3-yl]benzoic acid
CID 97202777
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 99929273
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25293575
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-propan-2-ylsulfanylethanone
CID 95716799
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 42300271
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 95727847
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 25459630
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 155981878

Frequently Asked Questions

What is the IUPAC name of 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone?
The IUPAC name of 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone (CID 45244535) is 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone.
What is the SMILES notation for 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone?
The canonical SMILES for 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone is CCc1nc(C)ccc1OCC(=O)N1CCCC(N(C)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone?
The InChIKey is IFSCFFMOSDUKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-4-21-22(13-12-18(2)24-21)28-17-23(27)26-14-8-11-20(16-26)25(3)15-19-9-6-5-7-10-19/h5-7,9-10,12-13,20H,4,8,11,14-17H2,1-3H3.
What are the key properties of 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone?
1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone has a molecular weight of 381.52 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone is sourced from PubChem (CID 45244535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).