2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone

C21H26N2O2 — CID 110614924

IUPAC2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
SMILESCN(C)C(C(=O)N1CCCC(Oc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(2)20(17-10-5-3-6-11-17)21(24)23-15-9-14-19(16-23)25-18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-16H2,1-2H3
InChIKeyRBDGOJZYUANVDW-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.36
Rot. Bonds5

About 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone

2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone (PubChem CID 110614924) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
PubChem CID110614924
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
SMILESCN(C)C(C(=O)N1CCCC(Oc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22(2)20(17-10-5-3-6-11-17)21(24)23-15-9-14-19(16-23)25-18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-16H2,1-2H3
InChIKeyRBDGOJZYUANVDW-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
(2S)-1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(dimethylamino)-2-phenylethanone
CID 124611587
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
(2R)-2-(dimethylamino)-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-phenylethanone
CID 95737408
(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 95734813
N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
CID 110607741
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97198398

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone (CID 110614924) is 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone is CN(C)C(C(=O)N1CCCC(Oc2ccccc2)C1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone?
The InChIKey is RBDGOJZYUANVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(2)20(17-10-5-3-6-11-17)21(24)23-15-9-14-19(16-23)25-18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-16H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone?
2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone has a molecular weight of 338.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 110614924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).