N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide

C18H22N4O2S — CID 110095766

IUPACN-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nccnc1C1CCN(C(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C18H22N4O2S/c1-12-3-4-16(25-12)18(24)22-9-5-14(6-10-22)17-15(11-21-13(2)23)19-7-8-20-17/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,21,23)
InChIKeyNYVGEXIJAFTDPU-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.50
Rot. Bonds4

About N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide

N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110095766) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110095766
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nccnc1C1CCN(C(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C18H22N4O2S/c1-12-3-4-16(25-12)18(24)22-9-5-14(6-10-22)17-15(11-21-13(2)23)19-7-8-20-17/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,21,23)
InChIKeyNYVGEXIJAFTDPU-UHFFFAOYSA-N
XLogP2.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide (CID 110095766) is N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1nccnc1C1CCN(C(=O)c2ccc(C)s2)CC1.
What is the InChIKey of N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is NYVGEXIJAFTDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-3-4-16(25-12)18(24)22-9-5-14(6-10-22)17-15(11-21-13(2)23)19-7-8-20-17/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,21,23).
What are the key properties of N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110095766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).