2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone

C21H27N3O2 — CID 72921497

IUPAC2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
SMILESCc1ccc(C(C(=O)N2CCC(Oc3cccnc3)CC2)N(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-6-8-17(9-7-16)20(23(2)3)21(25)24-13-10-18(11-14-24)26-19-5-4-12-22-15-19/h4-9,12,15,18,20H,10-11,13-14H2,1-3H3
InChIKeyXGVHDJNDFVSEBZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.06
Rot. Bonds5

About 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone

2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone (PubChem CID 72921497) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
PubChem CID72921497
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
SMILESCc1ccc(C(C(=O)N2CCC(Oc3cccnc3)CC2)N(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-6-8-17(9-7-16)20(23(2)3)21(25)24-13-10-18(11-14-24)26-19-5-4-12-22-15-19/h4-9,12,15,18,20H,10-11,13-14H2,1-3H3
InChIKeyXGVHDJNDFVSEBZ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone
CID 97129286
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
2-(dimethylamino)-2-(4-methylphenyl)-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 91775854
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99852524
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
CID 110614924
2-(dimethylamino)-1-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethanone
CID 110753896
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone (CID 72921497) is 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone is Cc1ccc(C(C(=O)N2CCC(Oc3cccnc3)CC2)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone?
The InChIKey is XGVHDJNDFVSEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-6-8-17(9-7-16)20(23(2)3)21(25)24-13-10-18(11-14-24)26-19-5-4-12-22-15-19/h4-9,12,15,18,20H,10-11,13-14H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone?
2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone has a molecular weight of 353.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-methylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 72921497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).