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

C26H38N4O2S — CID 54769525

IUPAC2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESO=C(CC1CCOCC1)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C26H38N4O2S/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31)
InChIKeyOFWNLCWKTRJZBM-UHFFFAOYSA-N
MW470.68 g/mol
LogP4.30
Rot. Bonds7

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

2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (PubChem CID 54769525) has the molecular formula C26H38N4O2S and a molecular weight of 470.68 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
PubChem CID54769525
Molecular FormulaC26H38N4O2S
Molecular Weight470.68 g/mol
Exact Mass470.27
IUPAC Name2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESO=C(CC1CCOCC1)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C26H38N4O2S/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31)
InChIKeyOFWNLCWKTRJZBM-UHFFFAOYSA-N
XLogP4.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.68
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[4-(4-Thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-butyl]-thiomorpholine-3,5-dione
CID 13914143
1-[4-(4-Thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride
CID 45259319
4-Methyl-1-[4-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)butyl]piperidine-2,6-dione;hydrochloride
CID 45263941
Thiophene-2-carboxylic acid {4-[2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 15045455
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-Methoxy-N-{trans-4-[2-(4-thieno[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54769524

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (CID 54769525) is 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is O=C(CC1CCOCC1)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1.
What is the InChIKey of 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is OFWNLCWKTRJZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2S/c31-25(19-21-7-16-32-17-8-21)28-22-3-1-20(2-4-22)6-11-29-12-14-30(15-13-29)26-23-9-18-33-24(23)5-10-27-26/h5,9-10,18,20-22H,1-4,6-8,11-17,19H2,(H,28,31).
What are the key properties of 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 470.68 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 54769525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).