[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid

C24H32N4O5 — CID 87124975

About [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid

[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid (PubChem CID 87124975) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid.

Molecular Properties

• Compound Name: [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid
• PubChem CID: 87124975
• Molecular Formula: C24H32N4O5
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.24
• IUPAC Name: [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid
• SMILES: C#CCN(C(=O)O)c1cnc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(OC)c1
• InChI: InChI=1S/C24H32N4O5/c1-3-11-28(23(31)32)18-14-20(33-2)21(25-15-18)26-12-4-9-24(16-26)10-13-27(22(24)30)17-5-7-19(29)8-6-17/h1,14-15,17,19,29H,4-13,16H2,2H3,(H,31,32)
• InChIKey: OHAYLMZKEIXHGO-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 106.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid?

The IUPAC name of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid (CID 87124975) is [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid.

What is the SMILES notation for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid?

The canonical SMILES for [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid is C#CCN(C(=O)O)c1cnc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(OC)c1.

What is the InChIKey of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid?

The InChIKey is OHAYLMZKEIXHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-3-11-28(23(31)32)18-14-20(33-2)21(25-15-18)26-12-4-9-24(16-26)10-13-27(22(24)30)17-5-7-19(29)8-6-17/h1,14-15,17,19,29H,4-13,16H2,2H3,(H,31,32).

What are the key properties of [6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid?

[6-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid has a molecular weight of 456.54 g/mol, XLogP of 2.33, 5 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-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl]-prop-2-ynylcarbamic acid is sourced from PubChem (CID 87124975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).