N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide

C23H27FN2O2 — CID 46378914

IUPACN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H27FN2O2/c1-17-3-2-4-19(15-17)16-22(27)25-12-9-18-10-13-26(14-11-18)23(28)20-5-7-21(24)8-6-20/h2-8,15,18H,9-14,16H2,1H3,(H,25,27)
InChIKeyYGPGFCLMGWETCY-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.74
Rot. Bonds6

About N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 46378914) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID46378914
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H27FN2O2/c1-17-3-2-4-19(15-17)16-22(27)25-12-9-18-10-13-26(14-11-18)23(28)20-5-7-21(24)8-6-20/h2-8,15,18H,9-14,16H2,1H3,(H,25,27)
InChIKeyYGPGFCLMGWETCY-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide (CID 46378914) is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCC2CCN(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is YGPGFCLMGWETCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-17-3-2-4-19(15-17)16-22(27)25-12-9-18-10-13-26(14-11-18)23(28)20-5-7-21(24)8-6-20/h2-8,15,18H,9-14,16H2,1H3,(H,25,27).
What are the key properties of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 382.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 46378914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).