N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide

C22H22FN3O2S — CID 86888842

IUPACN-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide
SMILESN#Cc1ccc(SCCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H22FN3O2S/c23-20-4-2-1-3-19(20)22(28)25-17-9-12-26(13-10-17)21(27)11-14-29-18-7-5-16(15-24)6-8-18/h1-8,17H,9-14H2,(H,25,28)
InChIKeyOHZRSWVYVHFSMU-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.60
Rot. Bonds6

About N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide

N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide (PubChem CID 86888842) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide
PubChem CID86888842
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC NameN-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide
SMILESN#Cc1ccc(SCCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H22FN3O2S/c23-20-4-2-1-3-19(20)22(28)25-17-9-12-26(13-10-17)21(27)11-14-29-18-7-5-16(15-24)6-8-18/h1-8,17H,9-14H2,(H,25,28)
InChIKeyOHZRSWVYVHFSMU-UHFFFAOYSA-N
XLogP3.60
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide 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-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
N-[1-[4-(4-chlorophenyl)sulfanylbutanoyl]piperidin-4-yl]benzamide
CID 24575407
2-fluoro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108549364
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
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide (CID 86888842) is N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide is N#Cc1ccc(SCCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is OHZRSWVYVHFSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-20-4-2-1-3-19(20)22(28)25-17-9-12-26(13-10-17)21(27)11-14-29-18-7-5-16(15-24)6-8-18/h1-8,17H,9-14H2,(H,25,28).
What are the key properties of N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide?
N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 411.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-cyanophenyl)sulfanylpropanoyl]piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 86888842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).