[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate

C23H34N4O4 — CID 90720919

About [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate

[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate (PubChem CID 90720919) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate.

Molecular Properties

• Compound Name: [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate
• PubChem CID: 90720919
• Molecular Formula: C23H34N4O4
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.26
• IUPAC Name: [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate
• SMILES: CCNC(=O)Oc1cnc(N2CCC3(CC2)CCN(C2CCC(O)CC2)C3=O)c(C)c1
• InChI: InChI=1S/C23H34N4O4/c1-3-24-22(30)31-19-14-16(2)20(25-15-19)26-11-8-23(9-12-26)10-13-27(21(23)29)17-4-6-18(28)7-5-17/h14-15,17-18,28H,3-13H2,1-2H3,(H,24,30)
• InChIKey: NCNAAUSJVPNDHE-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 95.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate?

The IUPAC name of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate (CID 90720919) is [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate.

What is the SMILES notation for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate?

The canonical SMILES for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate is CCNC(=O)Oc1cnc(N2CCC3(CC2)CCN(C2CCC(O)CC2)C3=O)c(C)c1.

What is the InChIKey of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate?

The InChIKey is NCNAAUSJVPNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-3-24-22(30)31-19-14-16(2)20(25-15-19)26-11-8-23(9-12-26)10-13-27(21(23)29)17-4-6-18(28)7-5-17/h14-15,17-18,28H,3-13H2,1-2H3,(H,24,30).

What are the key properties of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate?

[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate has a molecular weight of 430.55 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-3-pyridinyl] N-ethylcarbamate is sourced from PubChem (CID 90720919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).