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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095684
N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 110242450
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56824322
N-[[3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095660
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124969908
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117452
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-imidazol-1-ylacetamide
CID 110117447
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 110117431
(4-ethylsulfonylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 99798313
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343

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).