3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide

C20H33N3O2 — CID 146402445

IUPAC3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide
SMILESCCC1CN(C)CCC1NC(=O)C(C)(C)COc1ncc(C)cc1C
InChIInChI=1S/C20H33N3O2/c1-7-16-12-23(6)9-8-17(16)22-19(24)20(4,5)13-25-18-15(3)10-14(2)11-21-18/h10-11,16-17H,7-9,12-13H2,1-6H3,(H,22,24)
InChIKeyGKPDKJOKRSDKTJ-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.95
Rot. Bonds6

About 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide

3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide (PubChem CID 146402445) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide
PubChem CID146402445
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide
SMILESCCC1CN(C)CCC1NC(=O)C(C)(C)COc1ncc(C)cc1C
InChIInChI=1S/C20H33N3O2/c1-7-16-12-23(6)9-8-17(16)22-19(24)20(4,5)13-25-18-15(3)10-14(2)11-21-18/h10-11,16-17H,7-9,12-13H2,1-6H3,(H,22,24)
InChIKeyGKPDKJOKRSDKTJ-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide (CID 146402445) is 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide is CCC1CN(C)CCC1NC(=O)C(C)(C)COc1ncc(C)cc1C.
What is the InChIKey of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide?
The InChIKey is GKPDKJOKRSDKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-16-12-23(6)9-8-17(16)22-19(24)20(4,5)13-25-18-15(3)10-14(2)11-21-18/h10-11,16-17H,7-9,12-13H2,1-6H3,(H,22,24).
What are the key properties of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide?
3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide has a molecular weight of 347.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 146402445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).