N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide

C17H20FN3O3 — CID 110820368

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)N1
InChIInChI=1S/C17H20FN3O3/c18-13-4-2-1-3-12(13)17(24)21-9-7-11(8-10-21)19-16(23)14-5-6-15(22)20-14/h1-4,11,14H,5-10H2,(H,19,23)(H,20,22)
InChIKeyUMWWJMSQSWGGLH-UHFFFAOYSA-N
MW333.36 g/mol
LogP0.83
Rot. Bonds3

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110820368) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110820368
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)N1
InChIInChI=1S/C17H20FN3O3/c18-13-4-2-1-3-12(13)17(24)21-9-7-11(8-10-21)19-16(23)14-5-6-15(22)20-14/h1-4,11,14H,5-10H2,(H,19,23)(H,20,22)
InChIKeyUMWWJMSQSWGGLH-UHFFFAOYSA-N
XLogP0.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide 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

N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide
CID 119710946
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-benzyl-4-[(5-oxopyrrolidine-2-carbonyl)amino]piperidine-1-carboxamide
CID 110821696
5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110820856
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide (CID 110820368) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)N1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UMWWJMSQSWGGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-13-4-2-1-3-12(13)17(24)21-9-7-11(8-10-21)19-16(23)14-5-6-15(22)20-14/h1-4,11,14H,5-10H2,(H,19,23)(H,20,22).
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110820368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).