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

C21H30N4O5 — CID 68751814

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

[2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid (PubChem CID 68751814) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is [2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid.

Molecular Properties

• Compound Name: [2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid
• PubChem CID: 68751814
• Molecular Formula: C21H30N4O5
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.22
• IUPAC Name: [2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid
• SMILES: COc1ccc(NC(=O)O)c(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3=O)C2)n1
• InChI: InChI=1S/C21H30N4O5/c1-30-17-8-7-16(22-20(28)29)18(23-17)24-11-2-9-21(13-24)10-12-25(19(21)27)14-3-5-15(26)6-4-14/h7-8,14-15,22,26H,2-6,9-13H2,1H3,(H,28,29)/t14?,15?,21-/m0/s1
• InChIKey: ADQHAUZQNFCCBT-XFMWISLNSA-N
• XLogP: 2.30
• TPSA: 115.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid (CID 68751814) is [2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid.

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

The canonical SMILES for [2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid is COc1ccc(NC(=O)O)c(N2CCC[C@]3(CCN(C4CCC(O)CC4)C3=O)C2)n1.

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

The InChIKey is ADQHAUZQNFCCBT-XFMWISLNSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-30-17-8-7-16(22-20(28)29)18(23-17)24-11-2-9-21(13-24)10-12-25(19(21)27)14-3-5-15(26)6-4-14/h7-8,14-15,22,26H,2-6,9-13H2,1H3,(H,28,29)/t14?,15?,21-/m0/s1.

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

[2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid has a molecular weight of 418.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5S)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-6-methoxy-3-pyridinyl]carbamic acid is sourced from PubChem (CID 68751814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).