(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide

C16H24FN2O+ — CID 9444040

IUPAC(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)cc1F
InChIInChI=1S/C16H23FN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-14-5-4-12(2)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1
InChIKeyWVOWFIWDTBBERC-ZDUSSCGKSA-O
MW279.38 g/mol
LogP1.78
Rot. Bonds3

About (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide

(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide (PubChem CID 9444040) has the molecular formula C16H24FN2O+ and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
PubChem CID9444040
Molecular FormulaC16H24FN2O+
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)cc1F
InChIInChI=1S/C16H23FN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-14-5-4-12(2)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1
InChIKeyWVOWFIWDTBBERC-ZDUSSCGKSA-O
XLogP1.78
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2S)-N-(3-fluoro-4-methylphenyl)-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)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9443984
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanamide
CID 9431790
N-[1-(3-fluoro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 22422537
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 9276460
(2S)-N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9444070
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide?
The IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide (CID 9444040) is (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide?
The canonical SMILES for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide is Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)cc1F.
What is the InChIKey of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide?
The InChIKey is WVOWFIWDTBBERC-ZDUSSCGKSA-O. The full InChI is InChI=1S/C16H23FN2O/c1-11-6-8-19(9-7-11)13(3)16(20)18-14-5-4-12(2)15(17)10-14/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide?
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide is sourced from PubChem (CID 9444040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).