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

C23H34N4O2S — CID 54769521

IUPAC3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C23H34N4O2S/c1-29-16-8-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-9-17-30-21(20)6-10-24-23/h6,9-10,17-19H,2-5,7-8,11-16H2,1H3,(H,25,28)
InChIKeyPXCHOWMQGZACON-UHFFFAOYSA-N
MW430.62 g/mol
LogP3.52
Rot. Bonds8

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

3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide (PubChem CID 54769521) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide
PubChem CID54769521
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1
InChIInChI=1S/C23H34N4O2S/c1-29-16-8-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-9-17-30-21(20)6-10-24-23/h6,9-10,17-19H,2-5,7-8,11-16H2,1H3,(H,25,28)
InChIKeyPXCHOWMQGZACON-UHFFFAOYSA-N
XLogP3.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide?
The IUPAC name of 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide (CID 54769521) is 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide?
The canonical SMILES for 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide is COCCC(=O)NC1CCC(CCN2CCN(c3nccc4sccc34)CC2)CC1.
What is the InChIKey of 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide?
The InChIKey is PXCHOWMQGZACON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-29-16-8-22(28)25-19-4-2-18(3-5-19)7-11-26-12-14-27(15-13-26)23-20-9-17-30-21(20)6-10-24-23/h6,9-10,17-19H,2-5,7-8,11-16H2,1H3,(H,25,28).
What are the key properties of 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide?
3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide has a molecular weight of 430.62 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[2-(4-thieno[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]propanamide is sourced from PubChem (CID 54769521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).