1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid

C21H32FN5O4 — CID 154922112

About 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid

1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid (PubChem CID 154922112) has the molecular formula C21H32FN5O4 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid.

Molecular Properties

• Compound Name: 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid
• PubChem CID: 154922112
• Molecular Formula: C21H32FN5O4
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.24
• IUPAC Name: 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid
• SMILES: O=C(CN1CCCCC1)N1CCC[C@]2(C1)CN(c1ncc(F)cn1)CC[C@H]2O.O=CO
• InChI: InChI=1S/C20H30FN5O2.CH2O2/c21-16-11-22-19(23-12-16)26-10-5-17(27)20(15-26)6-4-9-25(14-20)18(28)13-24-7-2-1-3-8-24;2-1-3/h11-12,17,27H,1-10,13-15H2;1H,(H,2,3)/t17-,20+;/m1./s1
• InChIKey: IZRUZIBMSAMXJI-XLCHORMMSA-N
• XLogP: 0.98
• TPSA: 110.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid?

The IUPAC name of 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid (CID 154922112) is 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid.

What is the SMILES notation for 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid?

The canonical SMILES for 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid is O=C(CN1CCCCC1)N1CCC[C@]2(C1)CN(c1ncc(F)cn1)CC[C@H]2O.O=CO.

What is the InChIKey of 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid?

The InChIKey is IZRUZIBMSAMXJI-XLCHORMMSA-N. The full InChI is InChI=1S/C20H30FN5O2.CH2O2/c21-16-11-22-19(23-12-16)26-10-5-17(27)20(15-26)6-4-9-25(14-20)18(28)13-24-7-2-1-3-8-24;2-1-3/h11-12,17,27H,1-10,13-15H2;1H,(H,2,3)/t17-,20+;/m1./s1.

What are the key properties of 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid?

1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid has a molecular weight of 437.52 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid is sourced from PubChem (CID 154922112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).