4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

C25H33FN4O2 — CID 71506900

About 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 71506900) has the molecular formula C25H33FN4O2 and a molecular weight of 439.57 g/mol. Its IUPAC name is 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
• PubChem CID: 71506900
• Molecular Formula: C25H33FN4O2
• Molecular Weight: 439.57 g/mol
• Exact Mass: 439.26
• IUPAC Name: 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
• SMILES: O=C(C1CCC(C[18F])CC1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1
• InChI: InChI=1S/C25H33FN4O2/c26-19-20-8-10-21(11-9-20)25(32)30(24-7-3-4-12-27-24)18-15-28-13-16-29(17-14-28)22-5-1-2-6-23(22)31/h1-7,12,20-21,31H,8-11,13-19H2/i26-1
• InChIKey: MAUYXBFPZQQMNA-KPVNRNJOSA-N
• XLogP: 3.72
• TPSA: 59.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.57
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?

The IUPAC name of 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 71506900) is 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide.

What is the SMILES notation for 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?

The canonical SMILES for 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide is O=C(C1CCC(C[18F])CC1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1.

What is the InChIKey of 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?

The InChIKey is MAUYXBFPZQQMNA-KPVNRNJOSA-N. The full InChI is InChI=1S/C25H33FN4O2/c26-19-20-8-10-21(11-9-20)25(32)30(24-7-3-4-12-27-24)18-15-28-13-16-29(17-14-28)22-5-1-2-6-23(22)31/h1-7,12,20-21,31H,8-11,13-19H2/i26-1.

What are the key properties of 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?

4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 439.57 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 71506900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).