N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide

C16H25N2O2+ — CID 7460120

IUPACN-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
SMILESCOc1ccccc1NC(=O)CC[NH+]1CCC(C)CC1
InChIInChI=1S/C16H24N2O2/c1-13-7-10-18(11-8-13)12-9-16(19)17-14-5-3-4-6-15(14)20-2/h3-6,13H,7-12H2,1-2H3,(H,17,19)/p+1
InChIKeyPRYXNGBQVZSKSY-UHFFFAOYSA-O
MW277.39 g/mol
LogP1.34
Rot. Bonds5

About N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide

N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide (PubChem CID 7460120) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
PubChem CID7460120
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC NameN-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide
SMILESCOc1ccccc1NC(=O)CC[NH+]1CCC(C)CC1
InChIInChI=1S/C16H24N2O2/c1-13-7-10-18(11-8-13)12-9-16(19)17-14-5-3-4-6-15(14)20-2/h3-6,13H,7-12H2,1-2H3,(H,17,19)/p+1
InChIKeyPRYXNGBQVZSKSY-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

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Related Compounds

3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide
CID 6937956
ethyl 4-[3-(2-methoxyanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate
CID 3822869
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2-methoxyphenyl)acetamide
CID 11920704
3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
CID 7460118
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
N-(2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543828
N-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide
CID 5059200
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 4742368
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide (CID 7460120) is N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide is COc1ccccc1NC(=O)CC[NH+]1CCC(C)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide?
The InChIKey is PRYXNGBQVZSKSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-13-7-10-18(11-8-13)12-9-16(19)17-14-5-3-4-6-15(14)20-2/h3-6,13H,7-12H2,1-2H3,(H,17,19)/p+1.
What are the key properties of N-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide?
N-(2-methoxyphenyl)-3-(4-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-(2-methoxyphenyl)-3-(4-methylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 7460120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).