2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide

C22H32N4O2S — CID 54769524

IUPAC2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESCOCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C22H32N4O2S/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27)
InChIKeyCCIIACYBEVIIIN-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.13
Rot. Bonds7

About 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide

2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (PubChem CID 54769524) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
PubChem CID54769524
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESCOCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C22H32N4O2S/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27)
InChIKeyCCIIACYBEVIIIN-UHFFFAOYSA-N
XLogP3.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide with MolForge

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Related Compounds

N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-6-thiophen-2-yl-1,8-naphthyridine-3-carboxamide
CID 118719606
4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-butyl]-thiomorpholine-3,5-dione
CID 13914143
2-Hydroxy-N-{trans-4-[2-(4-thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54768043
2-(trans-4-Hydroxy-cyclohexyl)-N-{trans-4-[2-(4-thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54768824
N-{trans-4-[2-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54769298
N-{trans-4-[2-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide
CID 54769299
3-Methoxy-N-{trans-4-[2-(4-thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide
CID 54769521
2-(trans-4-Methoxy-cyclohexyl)-N-{trans-4-[2-(4-thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54769522
2-[(1R,3R)-3-methoxycyclopentyl]-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
CID 54769523
2-(Tetrahydro-pyran-4-yl)-N-{trans-4-[2-(4-thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54769525
Tetrahydro-pyran-4-carboxylic acid {trans-4-[2-(4-thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 54769526
N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]methanesulfonamide
CID 54769739

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (CID 54769524) is 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is COCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1.
What is the InChIKey of 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is CCIIACYBEVIIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-28-16-21(27)24-18-4-2-17(3-5-18)7-10-25-11-13-26(14-12-25)22-19-8-15-29-20(19)6-9-23-22/h6,8-9,15,17-18H,2-5,7,10-14,16H2,1H3,(H,24,27).
What are the key properties of 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 416.59 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 54769524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).