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

C18H22N4O2S — CID 110095720

IUPACN-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(CC2CCN(C(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C18H22N4O2S/c1-13(23)19-11-16-12-20-15(10-21-16)9-14-4-6-22(7-5-14)18(24)17-3-2-8-25-17/h2-3,8,10,12,14H,4-7,9,11H2,1H3,(H,19,23)
InChIKeyAIEIFIGIKFVVGV-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.27
Rot. Bonds5

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

N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110095720) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
PubChem CID110095720
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(CC2CCN(C(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C18H22N4O2S/c1-13(23)19-11-16-12-20-15(10-21-16)9-14-4-6-22(7-5-14)18(24)17-3-2-8-25-17/h2-3,8,10,12,14H,4-7,9,11H2,1H3,(H,19,23)
InChIKeyAIEIFIGIKFVVGV-UHFFFAOYSA-N
XLogP2.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]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

[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-thiophen-2-ylmethanone
CID 124943319
N-[[5-[[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110119076
N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110116932
N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
CID 110095519
N-[[5-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110116947
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
N-[[2-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983833

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide (CID 110095720) is N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cnc(CC2CCN(C(=O)c3cccs3)CC2)cn1.
What is the InChIKey of N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is AIEIFIGIKFVVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13(23)19-11-16-12-20-15(10-21-16)9-14-4-6-22(7-5-14)18(24)17-3-2-8-25-17/h2-3,8,10,12,14H,4-7,9,11H2,1H3,(H,19,23).
What are the key properties of N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[1-(thiophene-2-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110095720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).