1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

C18H20N2O3S — CID 17432225

IUPAC1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H20N2O3S/c1-24-15-5-2-4-14(12-15)19-17(21)13-7-9-20(10-8-13)18(22)16-6-3-11-23-16/h2-6,11-13H,7-10H2,1H3,(H,19,21)
InChIKeyHHMRSHOJAHBUTO-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.49
Rot. Bonds4

About 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 17432225) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID17432225
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C18H20N2O3S/c1-24-15-5-2-4-14(12-15)19-17(21)13-7-9-20(10-8-13)18(22)16-6-3-11-23-16/h2-6,11-13H,7-10H2,1H3,(H,19,21)
InChIKeyHHMRSHOJAHBUTO-UHFFFAOYSA-N
XLogP3.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 46485725
S-[4-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529937
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
CID 26324213
N-(3-methylsulfanylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126030935
tert-butyl N-[2-fluoro-5-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55967524
1-(furan-2-carbonyl)-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 39263707
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 39279841
1-(furan-2-carbonyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17081680
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
N-[4-(cyanomethyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 78813860

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide (CID 17432225) is 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is CSc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is HHMRSHOJAHBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-24-15-5-2-4-14(12-15)19-17(21)13-7-9-20(10-8-13)18(22)16-6-3-11-23-16/h2-6,11-13H,7-10H2,1H3,(H,19,21).
What are the key properties of 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17432225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).