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

C17H27N2O+ — CID 4742128

IUPACN-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CCC(C)CC2)cc1C
InChIInChI=1S/C17H26N2O/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-5-4-14(2)15(3)12-16/h4-5,12-13H,6-11H2,1-3H3,(H,18,20)/p+1
InChIKeyRZVMUGRFGBAVTA-UHFFFAOYSA-O
MW275.42 g/mol
LogP1.95
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide (PubChem CID 4742128) has the molecular formula C17H27N2O+ and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
PubChem CID4742128
Molecular FormulaC17H27N2O+
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC NameN-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
SMILESCc1ccc(NC(=O)CC[NH+]2CCC(C)CC2)cc1C
InChIInChI=1S/C17H26N2O/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-5-4-14(2)15(3)12-16/h4-5,12-13H,6-11H2,1-3H3,(H,18,20)/p+1
InChIKeyRZVMUGRFGBAVTA-UHFFFAOYSA-O
XLogP1.95
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)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

N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343858
N-(3,4-dimethylphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 3421987
N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 7460120
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655007
N-(3,4-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6937838
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7431880
N-(4-methylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 4678806
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide (CID 4742128) is N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide is Cc1ccc(NC(=O)CC[NH+]2CCC(C)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide?
The InChIKey is RZVMUGRFGBAVTA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N2O/c1-13-6-9-19(10-7-13)11-8-17(20)18-16-5-4-14(2)15(3)12-16/h4-5,12-13H,6-11H2,1-3H3,(H,18,20)/p+1.
What are the key properties of N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide?
N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide has a molecular weight of 275.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 4742128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).