1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide

C21H24FN3O4S — CID 4884408

IUPAC1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H24FN3O4S/c1-14(15-4-8-19(9-5-15)30(23,28)29)24-20(26)16-10-12-25(13-11-16)21(27)17-2-6-18(22)7-3-17/h2-9,14,16H,10-13H2,1H3,(H,24,26)(H2,23,28,29)
InChIKeyQCNGKQRBSKMRTD-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 4884408) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID4884408
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H24FN3O4S/c1-14(15-4-8-19(9-5-15)30(23,28)29)24-20(26)16-10-12-25(13-11-16)21(27)17-2-6-18(22)7-3-17/h2-9,14,16H,10-13H2,1H3,(H,24,26)(H2,23,28,29)
InChIKeyQCNGKQRBSKMRTD-UHFFFAOYSA-N
XLogP2.20
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-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

(3S)-1-(4-chlorobenzoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 41079088
N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309471
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
1-(4-bromobenzoyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 46413518
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223986
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
CID 125129114

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide (CID 4884408) is 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is QCNGKQRBSKMRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-14(15-4-8-19(9-5-15)30(23,28)29)24-20(26)16-10-12-25(13-11-16)21(27)17-2-6-18(22)7-3-17/h2-9,14,16H,10-13H2,1H3,(H,24,26)(H2,23,28,29).
What are the key properties of 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[1-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 4884408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).