[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone

C16H20N4O2S — CID 100658231

IUPAC[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H20N4O2S/c1-19(2)14-15(18-8-7-17-14)22-12-5-3-9-20(11-12)16(21)13-6-4-10-23-13/h4,6-8,10,12H,3,5,9,11H2,1-2H3/t12-/m0/s1
InChIKeyNSXJVHUQXRTERX-LBPRGKRZSA-N
MW332.43 g/mol
LogP2.29
Rot. Bonds4

About [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone

[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 100658231) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID100658231
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C16H20N4O2S/c1-19(2)14-15(18-8-7-17-14)22-12-5-3-9-20(11-12)16(21)13-6-4-10-23-13/h4,6-8,10,12H,3,5,9,11H2,1-2H3/t12-/m0/s1
InChIKeyNSXJVHUQXRTERX-LBPRGKRZSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone 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

[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100657586
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100657758
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 100658000
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
CID 117054833
(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 91914160
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 100658983
2-[2-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 91628278
2-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]oxypyridine-3-carboxamide
CID 91904278

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone (CID 100658231) is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone is CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is NSXJVHUQXRTERX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(2)14-15(18-8-7-17-14)22-12-5-3-9-20(11-12)16(21)13-6-4-10-23-13/h4,6-8,10,12H,3,5,9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone?
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 332.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 100658231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).