4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide

C19H21FN2O2S — CID 131927930

IUPAC4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C19H21FN2O2S/c1-25-18-9-5-3-7-16(18)21-19(23)22-12-10-14(11-13-22)24-17-8-4-2-6-15(17)20/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyMOWJZFKJKMYDRY-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.62
Rot. Bonds4

About 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide

4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide (PubChem CID 131927930) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
PubChem CID131927930
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide
SMILESCSc1ccccc1NC(=O)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C19H21FN2O2S/c1-25-18-9-5-3-7-16(18)21-19(23)22-12-10-14(11-13-22)24-17-8-4-2-6-15(17)20/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyMOWJZFKJKMYDRY-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-Difluorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 73348918
N-(4-ethoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 972027
1-(4-Ethoxyphenyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}urea
CID 15989668
N-(2-ethoxyphenyl)-10H-phenothiazine-10-carboxamide
CID 1072458
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 2107485
1-(4-Ethoxyphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
CID 5309608
4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 16018968
1-[4-[3-(Diethylamino)propoxy]phenyl]-3-(2,4-difluorophenyl)urea
CID 71625597
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 8084846
2-(2-Amino-phenylsulfanyl)-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 653110
1-(4-Methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
1-[4-(4-Fluorophenoxy)cyclohexyl]-3-(3-methylsulfanylphenyl)urea
CID 59168682

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide (CID 131927930) is 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide is CSc1ccccc1NC(=O)N1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide?
The InChIKey is MOWJZFKJKMYDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-25-18-9-5-3-7-16(18)21-19(23)22-12-10-14(11-13-22)24-17-8-4-2-6-15(17)20/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide?
4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 131927930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).