2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone

C21H27N3O2 — CID 99929273

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
SMILESCCc1nc(C)ccc1OCC(=O)N1CCN(C)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H27N3O2/c1-4-18-20(11-10-16(2)22-18)26-15-21(25)24-13-12-23(3)19(14-24)17-8-6-5-7-9-17/h5-11,19H,4,12-15H2,1-3H3/t19-/m0/s1
InChIKeyZOZYLUOYVJZRDI-IBGZPJMESA-N
MW353.47 g/mol
LogP2.85
Rot. Bonds5

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone (PubChem CID 99929273) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
PubChem CID99929273
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
SMILESCCc1nc(C)ccc1OCC(=O)N1CCN(C)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H27N3O2/c1-4-18-20(11-10-16(2)22-18)26-15-21(25)24-13-12-23(3)19(14-24)17-8-6-5-7-9-17/h5-11,19H,4,12-15H2,1-3H3/t19-/m0/s1
InChIKeyZOZYLUOYVJZRDI-IBGZPJMESA-N
XLogP2.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

3-[(3R)-1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-3-yl]benzoic acid
CID 97202777
1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 45244535
2-butoxy-1-(4-methyl-3-phenylpiperazin-1-yl)ethanone
CID 86285799
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
N-benzyl-3-[1-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]piperidin-4-yl]-N-methylpropanamide
CID 42516722
3-(2-methylimidazol-1-yl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 86284577
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124990187
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone (CID 99929273) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone is CCc1nc(C)ccc1OCC(=O)N1CCN(C)[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone?
The InChIKey is ZOZYLUOYVJZRDI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-18-20(11-10-16(2)22-18)26-15-21(25)24-13-12-23(3)19(14-24)17-8-6-5-7-9-17/h5-11,19H,4,12-15H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 99929273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).