2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide

C21H30N4OS — CID 154365304

IUPAC2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(CCN2CCN(c3nccc4ccsc34)CC2)CC1
InChIInChI=1S/C21H30N4OS/c22-19(26)15-17-3-1-16(2-4-17)6-9-24-10-12-25(13-11-24)21-20-18(5-8-23-21)7-14-27-20/h5,7-8,14,16-17H,1-4,6,9-13,15H2,(H2,22,26)
InChIKeyWSRLAEVWTCBRDF-UHFFFAOYSA-N
MW386.57 g/mol
LogP3.49
Rot. Bonds6

About 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide

2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (PubChem CID 154365304) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
PubChem CID154365304
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESNC(=O)CC1CCC(CCN2CCN(c3nccc4ccsc34)CC2)CC1
InChIInChI=1S/C21H30N4OS/c22-19(26)15-17-3-1-16(2-4-17)6-9-24-10-12-25(13-11-24)21-20-18(5-8-23-21)7-14-27-20/h5,7-8,14,16-17H,1-4,6,9-13,15H2,(H2,22,26)
InChIKeyWSRLAEVWTCBRDF-UHFFFAOYSA-N
XLogP3.49
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (CID 154365304) is 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is NC(=O)CC1CCC(CCN2CCN(c3nccc4ccsc34)CC2)CC1.
What is the InChIKey of 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is WSRLAEVWTCBRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c22-19(26)15-17-3-1-16(2-4-17)6-9-24-10-12-25(13-11-24)21-20-18(5-8-23-21)7-14-27-20/h5,7-8,14,16-17H,1-4,6,9-13,15H2,(H2,22,26).
What are the key properties of 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 386.57 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 154365304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).