3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide

C17H26N2O — CID 120601203

IUPAC3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCNC(C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-4-5-15(13(2)10-12)6-7-17(20)19-16-8-9-18-14(3)11-16/h4-5,10,14,16,18H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyNEBDWFOBZNPKQG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.49
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide

3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 120601203) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
PubChem CID120601203
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCNC(C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-4-5-15(13(2)10-12)6-7-17(20)19-16-8-9-18-14(3)11-16/h4-5,10,14,16,18H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyNEBDWFOBZNPKQG-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766
3-(2,4-dimethylphenyl)-N-(5-methylpyrazolidin-3-yl)propanamide
CID 75267874
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119475057
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
3-(4-bromo-3-methylphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120600380
N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 120599219
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide (CID 120601203) is 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide is Cc1ccc(CCC(=O)NC2CCNC(C)C2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide?
The InChIKey is NEBDWFOBZNPKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-4-5-15(13(2)10-12)6-7-17(20)19-16-8-9-18-14(3)11-16/h4-5,10,14,16,18H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide?
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120601203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).