N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide

C20H23FN2O — CID 17152605

IUPACN-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1C
InChIInChI=1S/C20H23FN2O/c1-14-7-8-17(13-15(14)2)22-20(24)16-9-11-23(12-10-16)19-6-4-3-5-18(19)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyMGOBOTUELNKQAQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.30
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide

N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 17152605) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID17152605
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1C
InChIInChI=1S/C20H23FN2O/c1-14-7-8-17(13-15(14)2)22-20(24)16-9-11-23(12-10-16)19-6-4-3-5-18(19)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyMGOBOTUELNKQAQ-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-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-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
1-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17152720
N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152729
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333861
N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16813344
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
1-(2-fluorophenyl)-N-[4-(hexylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17152786
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide (CID 17152605) is N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is MGOBOTUELNKQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-14-7-8-17(13-15(14)2)22-20(24)16-9-11-23(12-10-16)19-6-4-3-5-18(19)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).