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

C16H25N2O2+ — CID 9443950

IUPAC(2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-8-10-18(11-9-12)13(2)16(19)17-14-4-6-15(20-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyGTINIKNRHPXRSH-CYBMUJFWSA-O
MW277.39 g/mol
LogP1.34
Rot. Bonds4

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

(2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide (PubChem CID 9443950) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
PubChem CID9443950
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-8-10-18(11-9-12)13(2)16(19)17-14-4-6-15(20-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyGTINIKNRHPXRSH-CYBMUJFWSA-O
XLogP1.34
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 (2R)-N-(4-methoxyphenyl)-2-(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

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-methoxyphenyl)propanamide
CID 9249004
(2R)-N-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 9250159
ethyl 4-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate
CID 9431116
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9494130
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9444040
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9493902
(2R)-N-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274915
(2S)-2-(azocan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9460347
(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249538
(2R)-N-(3,4-difluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9461926
ethyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
CID 8931188
(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250047

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide (CID 9443950) is (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide is COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide?
The InChIKey is GTINIKNRHPXRSH-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-12-8-10-18(11-9-12)13(2)16(19)17-14-4-6-15(20-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide?
(2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide has a molecular weight of 277.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 9443950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).