1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide

C21H23FN2O2S — CID 51272724

IUPAC1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
SMILESO=C(NCCSc1ccccc1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H23FN2O2S/c22-18-10-8-16(9-11-18)21(26)24-13-4-5-17(15-24)20(25)23-12-14-27-19-6-2-1-3-7-19/h1-3,6-11,17H,4-5,12-15H2,(H,23,25)
InChIKeyJWFSXXXZVZZIFO-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.59
Rot. Bonds6

About 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide (PubChem CID 51272724) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
PubChem CID51272724
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC Name1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
SMILESO=C(NCCSc1ccccc1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C21H23FN2O2S/c22-18-10-8-16(9-11-18)21(26)24-13-4-5-17(15-24)20(25)23-12-14-27-19-6-2-1-3-7-19/h1-3,6-11,17H,4-5,12-15H2,(H,23,25)
InChIKeyJWFSXXXZVZZIFO-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
N-(2-amino-2-phenylethyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119527413
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
N-[2-(dimethylamino)-3-phenylpropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55484095
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide (CID 51272724) is 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide is O=C(NCCSc1ccccc1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide?
The InChIKey is JWFSXXXZVZZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c22-18-10-8-16(9-11-18)21(26)24-13-4-5-17(15-24)20(25)23-12-14-27-19-6-2-1-3-7-19/h1-3,6-11,17H,4-5,12-15H2,(H,23,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 51272724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).