1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

C21H26FN2O+ — CID 6966365

IUPAC1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-16-6-8-17(9-7-16)14-23-21(25)18-10-12-24(13-11-18)15-19-4-2-3-5-20(19)22/h2-9,18H,10-15H2,1H3,(H,23,25)/p+1
InChIKeyOGOAEEDTJSGHKD-UHFFFAOYSA-O
MW341.45 g/mol
LogP2.25
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide (PubChem CID 6966365) has the molecular formula C21H26FN2O+ and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
PubChem CID6966365
Molecular FormulaC21H26FN2O+
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-16-6-8-17(9-7-16)14-23-21(25)18-10-12-24(13-11-18)15-19-4-2-3-5-20(19)22/h2-9,18H,10-15H2,1H3,(H,23,25)/p+1
InChIKeyOGOAEEDTJSGHKD-UHFFFAOYSA-O
XLogP2.25
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide 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

1-[(2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324136
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6964251
N-[(4-methylphenyl)methyl]-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6966288
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
CID 8968845
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
4-N-(3,5-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148377
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide (CID 6966365) is 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide is Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
The InChIKey is OGOAEEDTJSGHKD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25FN2O/c1-16-6-8-17(9-7-16)14-23-21(25)18-10-12-24(13-11-18)15-19-4-2-3-5-20(19)22/h2-9,18H,10-15H2,1H3,(H,23,25)/p+1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 6966365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).