2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide

C25H23FN4O3 — CID 129226957

IUPAC2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C25H23FN4O3/c26-17-9-11-18(12-10-17)28-25(33)29-22-6-3-15-30(24(22)32)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(27)31/h1-2,4-5,7-14,22H,3,6,15H2,(H2,27,31)(H2,28,29,33)/t22-/m1/s1
InChIKeyQFLVSTGHVZRVMH-JOCHJYFZSA-N
MW446.48 g/mol
LogP3.91
Rot. Bonds5

About 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide

2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide (PubChem CID 129226957) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide
PubChem CID129226957
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C25H23FN4O3/c26-17-9-11-18(12-10-17)28-25(33)29-22-6-3-15-30(24(22)32)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(27)31/h1-2,4-5,7-14,22H,3,6,15H2,(H2,27,31)(H2,28,29,33)/t22-/m1/s1
InChIKeyQFLVSTGHVZRVMH-JOCHJYFZSA-N
XLogP3.91
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide 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 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide?
The IUPAC name of 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide (CID 129226957) is 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide is NC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide?
The InChIKey is QFLVSTGHVZRVMH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23FN4O3/c26-17-9-11-18(12-10-17)28-25(33)29-22-6-3-15-30(24(22)32)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(27)31/h1-2,4-5,7-14,22H,3,6,15H2,(H2,27,31)(H2,28,29,33)/t22-/m1/s1.
What are the key properties of 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide?
2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide has a molecular weight of 446.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-3-[(4-fluorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 129226957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).