N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide

C20H21FN2O2 — CID 646657

IUPACN-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-18-8-6-16(7-9-18)19(24)17-10-12-23(13-11-17)20(25)22-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25)
InChIKeyAOTFSQYHJUPBAD-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.63
Rot. Bonds4

About N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide

N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide (PubChem CID 646657) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide
PubChem CID646657
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-18-8-6-16(7-9-18)19(24)17-10-12-23(13-11-17)20(25)22-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25)
InChIKeyAOTFSQYHJUPBAD-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide 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 N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide (CID 646657) is N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide is O=C(c1ccc(F)cc1)C1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide?
The InChIKey is AOTFSQYHJUPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-8-6-16(7-9-18)19(24)17-10-12-23(13-11-17)20(25)22-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25).
What are the key properties of N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide?
N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorobenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 646657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).