N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide

C16H25N2O2+ — CID 4742378

IUPACN-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
SMILESCOc1cccc(NC(=O)CC[NH+]2CCCC(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-13-5-4-9-18(12-13)10-8-16(19)17-14-6-3-7-15(11-14)20-2/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H,17,19)/p+1
InChIKeyXTSGSHNPNOHSJD-UHFFFAOYSA-O
MW277.39 g/mol
LogP1.34
Rot. Bonds5

About N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide

N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide (PubChem CID 4742378) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
PubChem CID4742378
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC NameN-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
SMILESCOc1cccc(NC(=O)CC[NH+]2CCCC(C)C2)c1
InChIInChI=1S/C16H24N2O2/c1-13-5-4-9-18(12-13)10-8-16(19)17-14-6-3-7-15(11-14)20-2/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H,17,19)/p+1
InChIKeyXTSGSHNPNOHSJD-UHFFFAOYSA-O
XLogP1.34
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-methoxyphenyl)-3-(3-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-difluorophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6937838
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7431880
2-(azocan-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583684
N-(2-chlorophenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 6941455
ethyl (3R)-1-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate
CID 6971035
N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343530
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
ethyl (3R)-1-[3-(4-methoxyanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate
CID 6952853
ethyl (3S)-1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-1-ium-3-carboxylate
CID 6934939
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide (CID 4742378) is N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide is COc1cccc(NC(=O)CC[NH+]2CCCC(C)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide?
The InChIKey is XTSGSHNPNOHSJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-13-5-4-9-18(12-13)10-8-16(19)17-14-6-3-7-15(11-14)20-2/h3,6-7,11,13H,4-5,8-10,12H2,1-2H3,(H,17,19)/p+1.
What are the key properties of N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide?
N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide has a molecular weight of 277.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 4742378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).