N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H20N4O4S — CID 119106274

IUPACN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2nccnc2-c2ccoc2)CC1
InChIInChI=1S/C16H20N4O4S/c1-25(22,23)20-7-2-12(3-8-20)16(21)19-10-14-15(18-6-5-17-14)13-4-9-24-11-13/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,19,21)
InChIKeyZJLXVOSZKARFHR-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.02
Rot. Bonds5

About N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 119106274) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID119106274
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2nccnc2-c2ccoc2)CC1
InChIInChI=1S/C16H20N4O4S/c1-25(22,23)20-7-2-12(3-8-20)16(21)19-10-14-15(18-6-5-17-14)13-4-9-24-11-13/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,19,21)
InChIKeyZJLXVOSZKARFHR-UHFFFAOYSA-N
XLogP1.02
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119106238
1-methylsulfonyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 91630198
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110319587
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-4-propylbenzamide
CID 122162929
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 71779547
1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide
CID 110721980
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 122162973
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 110317941
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 51323360

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 119106274) is N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2nccnc2-c2ccoc2)CC1.
What is the InChIKey of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZJLXVOSZKARFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-25(22,23)20-7-2-12(3-8-20)16(21)19-10-14-15(18-6-5-17-14)13-4-9-24-11-13/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,19,21).
What are the key properties of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119106274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).