1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one

C22H36N2O2 — CID 153338998

IUPAC1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one
SMILESCC[C@@H]1CN(C)CC[C@H]1CCC(=O)C(C)(C)COc1ncc(C)cc1C
InChIInChI=1S/C22H36N2O2/c1-7-18-14-24(6)11-10-19(18)8-9-20(25)22(4,5)15-26-21-17(3)12-16(2)13-23-21/h12-13,18-19H,7-11,14-15H2,1-6H3/t18-,19-/m1/s1
InChIKeyHAMHANJQFDDEOT-RTBURBONSA-N
MW360.54 g/mol
LogP4.43
Rot. Bonds8

About 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one

1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one (PubChem CID 153338998) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one
PubChem CID153338998
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one
SMILESCC[C@@H]1CN(C)CC[C@H]1CCC(=O)C(C)(C)COc1ncc(C)cc1C
InChIInChI=1S/C22H36N2O2/c1-7-18-14-24(6)11-10-19(18)8-9-20(25)22(4,5)15-26-21-17(3)12-16(2)13-23-21/h12-13,18-19H,7-11,14-15H2,1-6H3/t18-,19-/m1/s1
InChIKeyHAMHANJQFDDEOT-RTBURBONSA-N
XLogP4.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one with MolForge

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Related Compounds

3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-(3-ethyl-1-methylpiperidin-4-yl)-2,2-dimethylpropanamide
CID 146402445
N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide
CID 146424091
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethylpropanamide
CID 161325478
3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402354
N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 146423617
tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 81458199
(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 145286374
2-(2,4-dimethylphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 50947183
2,2-dimethyl-N-[(3R,4S)-1-methyl-3-propan-2-ylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402182
2,2-dimethyl-N-[(4S)-1-methyl-3-propan-2-ylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146424085

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one?
The IUPAC name of 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one (CID 153338998) is 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one.
What is the SMILES notation for 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one?
The canonical SMILES for 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one is CC[C@@H]1CN(C)CC[C@H]1CCC(=O)C(C)(C)COc1ncc(C)cc1C.
What is the InChIKey of 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one?
The InChIKey is HAMHANJQFDDEOT-RTBURBONSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-7-18-14-24(6)11-10-19(18)8-9-20(25)22(4,5)15-26-21-17(3)12-16(2)13-23-21/h12-13,18-19H,7-11,14-15H2,1-6H3/t18-,19-/m1/s1.
What are the key properties of 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one?
1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one has a molecular weight of 360.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-2-pyridinyl)oxy]-5-[(3S,4R)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethylpentan-3-one is sourced from PubChem (CID 153338998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).