3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

C19H27N3O2 — CID 146402380

IUPAC3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1cccc(C#N)c1OCC(C)(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C19H27N3O2/c1-14-6-5-7-15(12-20)17(14)24-13-19(2,3)18(23)21-16-8-10-22(4)11-9-16/h5-7,16H,8-11,13H2,1-4H3,(H,21,23)
InChIKeyWGSYMSPSSIHTQW-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.48
Rot. Bonds5

About 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide

3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 146402380) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID146402380
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1cccc(C#N)c1OCC(C)(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C19H27N3O2/c1-14-6-5-7-15(12-20)17(14)24-13-19(2,3)18(23)21-16-8-10-22(4)11-9-16/h5-7,16H,8-11,13H2,1-4H3,(H,21,23)
InChIKeyWGSYMSPSSIHTQW-UHFFFAOYSA-N
XLogP2.48
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402416
3-[(3,5-dimethyl-2-pyridinyl)oxy]-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402354
tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate
CID 141498366
2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 153338973
3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
CID 107107531
N-[(3S,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 146423617
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)pentanamide;4-fluorobenzaldehyde
CID 142457626
tert-butyl 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 55986374
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108561132
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
(2-cyano-6-methylphenoxy) hydrogen carbonate
CID 134267215

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide (CID 146402380) is 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is Cc1cccc(C#N)c1OCC(C)(C)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is WGSYMSPSSIHTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-6-5-7-15(12-20)17(14)24-13-19(2,3)18(23)21-16-8-10-22(4)11-9-16/h5-7,16H,8-11,13H2,1-4H3,(H,21,23).
What are the key properties of 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide?
3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-6-methylphenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 146402380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).