N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

C17H26N2O — CID 771787

IUPACN-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCC(C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-12-14(2)4-5-15(16)3/h4-5,12-13H,6-11H2,1-3H3,(H,18,20)
InChIKeyREGDNQJSRFAGRJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.36
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 771787) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID771787
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCC(C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-12-14(2)4-5-15(16)3/h4-5,12-13H,6-11H2,1-3H3,(H,18,20)
InChIKeyREGDNQJSRFAGRJ-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 771787) is N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is Cc1ccc(C)c(NC(=O)CCN2CCC(C)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is REGDNQJSRFAGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-12-14(2)4-5-15(16)3/h4-5,12-13H,6-11H2,1-3H3,(H,18,20).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 771787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).