2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

C23H27FN2O3 — CID 108549364

IUPAC2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1OCCCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O3/c1-17-7-2-5-10-21(17)29-16-6-11-22(27)26-14-12-18(13-15-26)25-23(28)19-8-3-4-9-20(19)24/h2-5,7-10,18H,6,11-16H2,1H3,(H,25,28)
InChIKeyRAYJDDDHOMCLRS-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.71
Rot. Bonds7

About 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide

2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (PubChem CID 108549364) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
PubChem CID108549364
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1OCCCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H27FN2O3/c1-17-7-2-5-10-21(17)29-16-6-11-22(27)26-14-12-18(13-15-26)25-23(28)19-8-3-4-9-20(19)24/h2-5,7-10,18H,6,11-16H2,1H3,(H,25,28)
InChIKeyRAYJDDDHOMCLRS-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide 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

2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
4-methoxy-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548928
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
N-[1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512383
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide (CID 108549364) is 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is Cc1ccccc1OCCCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
The InChIKey is RAYJDDDHOMCLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-17-7-2-5-10-21(17)29-16-6-11-22(27)26-14-12-18(13-15-26)25-23(28)19-8-3-4-9-20(19)24/h2-5,7-10,18H,6,11-16H2,1H3,(H,25,28).
What are the key properties of 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide?
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108549364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).