N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide

C19H30N2O — CID 8930429

IUPACN-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C19H30N2O/c1-5-16-8-7-9-17(6-2)19(16)20-18(22)13-21-11-14(3)10-15(4)12-21/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)/t14-,15+
InChIKeyVFQUSAQVZJBJIQ-GASCZTMLSA-N
MW302.46 g/mol
LogP3.73
Rot. Bonds5

About N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide

N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide (PubChem CID 8930429) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
PubChem CID8930429
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C19H30N2O/c1-5-16-8-7-9-17(6-2)19(16)20-18(22)13-21-11-14(3)10-15(4)12-21/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)/t14-,15+
InChIKeyVFQUSAQVZJBJIQ-GASCZTMLSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8930637
2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8540795
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8930876
2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55353545

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide (CID 8930429) is N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide is CCc1cccc(CC)c1NC(=O)CN1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
The InChIKey is VFQUSAQVZJBJIQ-GASCZTMLSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-16-8-7-9-17(6-2)19(16)20-18(22)13-21-11-14(3)10-15(4)12-21/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)/t14-,15+.
What are the key properties of N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide?
N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide has a molecular weight of 302.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8930429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).