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

C23H32N4O2 — CID 54768829

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

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide (PubChem CID 54768829) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide
• PubChem CID: 54768829
• Molecular Formula: C23H32N4O2
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.25
• IUPAC Name: N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide
• SMILES: CC#CC(=O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
• InChI: InChI=1S/C23H32N4O2/c1-2-3-22(28)25-19-6-4-18(5-7-19)9-12-26-13-15-27(16-14-26)23-20-10-17-29-21(20)8-11-24-23/h8,11,18-19H,4-7,9-10,12-17H2,1H3,(H,25,28)
• InChIKey: XDPTVFIWUAWOLA-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide (CID 54768829) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide.

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

The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide is CC#CC(=O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1.

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

The InChIKey is XDPTVFIWUAWOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-2-3-22(28)25-19-6-4-18(5-7-19)9-12-26-13-15-27(16-14-26)23-20-10-17-29-21(20)8-11-24-23/h8,11,18-19H,4-7,9-10,12-17H2,1H3,(H,25,28).

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

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide has a molecular weight of 396.54 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]but-2-ynamide is sourced from PubChem (CID 54768829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).