N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

C21H23FN2O2 — CID 113007035

IUPACN-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C21H23FN2O2/c1-15-5-4-6-16(13-15)14-20(25)24-11-9-17(10-12-24)21(26)23-19-8-3-2-7-18(19)22/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)
InChIKeyWSAJEWMZLAHGIB-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.55
Rot. Bonds4

About N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide

N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 113007035) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID113007035
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
SMILESCc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c1
InChIInChI=1S/C21H23FN2O2/c1-15-5-4-6-16(13-15)14-20(25)24-11-9-17(10-12-24)21(26)23-19-8-3-2-7-18(19)22/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)
InChIKeyWSAJEWMZLAHGIB-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008728
1-[2-(3-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007640
N-(4-tert-butylphenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113006994
N-(2,4-difluorophenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008428
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24793292
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
N-(2-tert-butylphenyl)-1-[2-(2-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113006955

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide (CID 113007035) is N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is Cc1cccc(CC(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c1.
What is the InChIKey of N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is WSAJEWMZLAHGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-15-5-4-6-16(13-15)14-20(25)24-11-9-17(10-12-24)21(26)23-19-8-3-2-7-18(19)22/h2-8,13,17H,9-12,14H2,1H3,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide?
N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113007035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).