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

C17H21FN2O3 — CID 108549392

IUPAC2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
SMILESCC(=O)CCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H21FN2O3/c1-12(21)6-7-16(22)20-10-8-13(9-11-20)19-17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,23)
InChIKeyASLQDUVFJOBYAT-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.92
Rot. Bonds5

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

2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide (PubChem CID 108549392) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
PubChem CID108549392
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
SMILESCC(=O)CCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H21FN2O3/c1-12(21)6-7-16(22)20-10-8-13(9-11-20)19-17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,23)
InChIKeyASLQDUVFJOBYAT-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[1-(4-oxopentanoyl)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-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-[1-[2-(benzylamino)acetyl]piperidin-4-yl]-2-fluorobenzamide;oxalic acid
CID 175652870
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805
N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide
CID 86888842
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
CID 108555185
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
CID 108549384

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide (CID 108549392) is 2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide is CC(=O)CCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide?
The InChIKey is ASLQDUVFJOBYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-12(21)6-7-16(22)20-10-8-13(9-11-20)19-17(23)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,23).
What are the key properties of 2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide?
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide has a molecular weight of 320.36 g/mol, XLogP of 1.92, 5 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-oxopentanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108549392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).