N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

C17H20N4O2S — CID 16671259

IUPACN-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1cnc(C(=O)N2CCC[C@H](CNC(=O)c3cccs3)C2)cn1
InChIInChI=1S/C17H20N4O2S/c1-12-8-19-14(10-18-12)17(23)21-6-2-4-13(11-21)9-20-16(22)15-5-3-7-24-15/h3,5,7-8,10,13H,2,4,6,9,11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyMCZIYJLJJLGRRB-CYBMUJFWSA-N
MW344.44 g/mol
LogP2.13
Rot. Bonds4

About N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 16671259) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID16671259
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1cnc(C(=O)N2CCC[C@H](CNC(=O)c3cccs3)C2)cn1
InChIInChI=1S/C17H20N4O2S/c1-12-8-19-14(10-18-12)17(23)21-6-2-4-13(11-21)9-20-16(22)15-5-3-7-24-15/h3,5,7-8,10,13H,2,4,6,9,11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyMCZIYJLJJLGRRB-CYBMUJFWSA-N
XLogP2.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 16671259) is N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is Cc1cnc(C(=O)N2CCC[C@H](CNC(=O)c3cccs3)C2)cn1.
What is the InChIKey of N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is MCZIYJLJJLGRRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-8-19-14(10-18-12)17(23)21-6-2-4-13(11-21)9-20-16(22)15-5-3-7-24-15/h3,5,7-8,10,13H,2,4,6,9,11H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16671259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).