2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone

C19H25N3O2 — CID 96575262

IUPAC2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC[C@@H](c3nccn3C)C2)cc1C
InChIInChI=1S/C19H25N3O2/c1-14-6-7-17(11-15(14)2)24-13-18(23)22-9-4-5-16(12-22)19-20-8-10-21(19)3/h6-8,10-11,16H,4-5,9,12-13H2,1-3H3/t16-/m1/s1
InChIKeyMWTHOKGGGUVGAA-MRXNPFEDSA-N
MW327.43 g/mol
LogP2.82
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone

2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 96575262) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID96575262
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC[C@@H](c3nccn3C)C2)cc1C
InChIInChI=1S/C19H25N3O2/c1-14-6-7-17(11-15(14)2)24-13-18(23)22-9-4-5-16(12-22)19-20-8-10-21(19)3/h6-8,10-11,16H,4-5,9,12-13H2,1-3H3/t16-/m1/s1
InChIKeyMWTHOKGGGUVGAA-MRXNPFEDSA-N
XLogP2.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-aminopiperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 124628173
(3S)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 81120930
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
2-(3,4-dimethylphenoxy)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617181
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 97116494
2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 136527045
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
N-(2-aminoethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxamide
CID 119480111
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492472
2-(4-chlorophenyl)sulfanyl-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70756196
2-(4-chlorophenoxy)-1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 96581238

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone (CID 96575262) is 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCC[C@@H](c3nccn3C)C2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is MWTHOKGGGUVGAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-6-7-17(11-15(14)2)24-13-18(23)22-9-4-5-16(12-22)19-20-8-10-21(19)3/h6-8,10-11,16H,4-5,9,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone?
2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 96575262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).