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

C23H34N4O3 — CID 54769295

IUPAC2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESCCOCC(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C23H34N4O3/c1-2-29-17-22(28)25-19-5-3-18(4-6-19)8-11-26-12-14-27(15-13-26)23-20-9-16-30-21(20)7-10-24-23/h7,9-10,16,18-19H,2-6,8,11-15,17H2,1H3,(H,25,28)
InChIKeyWRBKFBAHOMAFKJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.05
Rot. Bonds8

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

2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (PubChem CID 54769295) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
PubChem CID54769295
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
SMILESCCOCC(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1
InChIInChI=1S/C23H34N4O3/c1-2-29-17-22(28)25-19-5-3-18(4-6-19)8-11-26-12-14-27(15-13-26)23-20-9-16-30-21(20)7-10-24-23/h7,9-10,16,18-19H,2-6,8,11-15,17H2,1H3,(H,25,28)
InChIKeyWRBKFBAHOMAFKJ-UHFFFAOYSA-N
XLogP3.05
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide (CID 54769295) is 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is CCOCC(=O)NC1CCC(CCN2CCN(c3nccc4occc34)CC2)CC1.
What is the InChIKey of 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
The InChIKey is WRBKFBAHOMAFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-2-29-17-22(28)25-19-5-3-18(4-6-19)8-11-26-12-14-27(15-13-26)23-20-9-16-30-21(20)7-10-24-23/h7,9-10,16,18-19H,2-6,8,11-15,17H2,1H3,(H,25,28).
What are the key properties of 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide?
2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 54769295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).