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

C18H28N2O — CID 109014565

IUPAC3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCC(C)CC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13-5-8-20(9-6-13)10-7-17(21)19-18-15(3)11-14(2)12-16(18)4/h11-13H,5-10H2,1-4H3,(H,19,21)
InChIKeyYZQAQRDCWBMQRD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.67
Rot. Bonds4

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

3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 109014565) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID109014565
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)CCN2CCC(C)CC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13-5-8-20(9-6-13)10-7-17(21)19-18-15(3)11-14(2)12-16(18)4/h11-13H,5-10H2,1-4H3,(H,19,21)
InChIKeyYZQAQRDCWBMQRD-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014562
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
N-(2-chloro-4,6-dimethylphenyl)-3-morpholin-4-ylpropanamide
CID 110688490
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
N-(4-amino-2-methylphenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63623312

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 109014565) is 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)CCN2CCC(C)CC2)c(C)c1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is YZQAQRDCWBMQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-5-8-20(9-6-13)10-7-17(21)19-18-15(3)11-14(2)12-16(18)4/h11-13H,5-10H2,1-4H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 109014565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).