3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide

C24H28FN3O3 — CID 45241928

IUPAC3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC(CCC(=O)Nc3ccc(F)cc3C)C2)cc1
InChIInChI=1S/C24H28FN3O3/c1-16-14-20(25)8-11-22(16)27-23(30)12-5-18-4-3-13-28(15-18)24(31)19-6-9-21(10-7-19)26-17(2)29/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWCPDIYMYDAMFJD-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.36
Rot. Bonds6

About 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide

3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 45241928) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID45241928
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC(CCC(=O)Nc3ccc(F)cc3C)C2)cc1
InChIInChI=1S/C24H28FN3O3/c1-16-14-20(25)8-11-22(16)27-23(30)12-5-18-4-3-13-28(15-18)24(31)19-6-9-21(10-7-19)26-17(2)29/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyWCPDIYMYDAMFJD-UHFFFAOYSA-N
XLogP4.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)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

3-[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 26410657
N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide
CID 97269258
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
N-(4-fluoro-2-methylphenyl)-3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]propanamide
CID 42392284
3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 25302828
N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide
CID 72857419
3-[1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45243077
N-(4-fluoro-2-methylphenyl)-3-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45207440
N-(4-fluoro-2-methylphenyl)-3-[1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]propanamide
CID 45183724
3-[1-[(3-acetylphenyl)methyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45191137

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide (CID 45241928) is 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide is CC(=O)Nc1ccc(C(=O)N2CCCC(CCC(=O)Nc3ccc(F)cc3C)C2)cc1.
What is the InChIKey of 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is WCPDIYMYDAMFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16-14-20(25)8-11-22(16)27-23(30)12-5-18-4-3-13-28(15-18)24(31)19-6-9-21(10-7-19)26-17(2)29/h6-11,14,18H,3-5,12-13,15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 425.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 45241928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).