3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one

C24H34N4O5 — CID 143229416

About 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one

3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 143229416) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one
• PubChem CID: 143229416
• Molecular Formula: C24H34N4O5
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.25
• IUPAC Name: 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one
• SMILES: COc1cc(N2CCOC2=O)cnc1N1CCC[C@@]2(CCN(C3CCC(O)CC3)CC2=O)C1
• InChI: InChI=1S/C24H34N4O5/c1-32-20-13-18(28-11-12-33-23(28)31)14-25-22(20)27-9-2-7-24(16-27)8-10-26(15-21(24)30)17-3-5-19(29)6-4-17/h13-14,17,19,29H,2-12,15-16H2,1H3/t17?,19?,24-/m1/s1
• InChIKey: XWRDJRAUSYWGNJ-VWLBVBLESA-N
• XLogP: 2.21
• TPSA: 95.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one (CID 143229416) is 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one is COc1cc(N2CCOC2=O)cnc1N1CCC[C@@]2(CCN(C3CCC(O)CC3)CC2=O)C1.

What is the InChIKey of 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one?

The InChIKey is XWRDJRAUSYWGNJ-VWLBVBLESA-N. The full InChI is InChI=1S/C24H34N4O5/c1-32-20-13-18(28-11-12-33-23(28)31)14-25-22(20)27-9-2-7-24(16-27)8-10-26(15-21(24)30)17-3-5-19(29)6-4-17/h13-14,17,19,29H,2-12,15-16H2,1H3/t17?,19?,24-/m1/s1.

What are the key properties of 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one?

3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 458.56 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(6R)-9-(4-hydroxycyclohexyl)-11-oxo-2,9-diazaspiro[5.5]undecan-2-yl]-5-methoxy-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143229416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).