4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide

C27H33N5O2 — CID 54768834

About 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide

4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide (PubChem CID 54768834) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide.

Molecular Properties

• Compound Name: 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide
• PubChem CID: 54768834
• Molecular Formula: C27H33N5O2
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.26
• IUPAC Name: 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide
• SMILES: N#Cc1ccc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1
• InChI: InChI=1S/C27H33N5O2/c28-19-21-1-5-22(6-2-21)27(33)30-23-7-3-20(4-8-23)10-13-31-14-16-32(17-15-31)26-24-11-18-34-25(24)9-12-29-26/h1-2,5-6,9,12,20,23H,3-4,7-8,10-11,13-18H2,(H,30,33)
• InChIKey: MHYHDPMWTXPZLG-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 81.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide?

The IUPAC name of 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide (CID 54768834) is 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide.

What is the SMILES notation for 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide?

The canonical SMILES for 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide is N#Cc1ccc(C(=O)NC2CCC(CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1.

What is the InChIKey of 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide?

The InChIKey is MHYHDPMWTXPZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c28-19-21-1-5-22(6-2-21)27(33)30-23-7-3-20(4-8-23)10-13-31-14-16-32(17-15-31)26-24-11-18-34-25(24)9-12-29-26/h1-2,5-6,9,12,20,23H,3-4,7-8,10-11,13-18H2,(H,30,33).

What are the key properties of 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide?

4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide has a molecular weight of 459.59 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 54768834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).