3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

C17H27N3O — CID 110858181

IUPAC3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-13-11-14(2)17(15(3)12-13)18-16(21)5-6-20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,18,21)
InChIKeyWYPXKTWCJHHFGX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.19
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 110858181) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID110858181
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-13-11-14(2)17(15(3)12-13)18-16(21)5-6-20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,18,21)
InChIKeyWYPXKTWCJHHFGX-UHFFFAOYSA-N
XLogP2.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
3-pyrrol-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 46261847
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-methylpiperazine-1-carbodithioate
CID 9456668
N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 2901262
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 90485277
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 110858181) is 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CCN2CCN(C)CC2)c(C)c1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is WYPXKTWCJHHFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-11-14(2)17(15(3)12-13)18-16(21)5-6-20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,18,21).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 110858181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).