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

C21H30N4O5 — CID 67503941

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

[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate (PubChem CID 67503941) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate.

Molecular Properties

• Compound Name: [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
• PubChem CID: 67503941
• Molecular Formula: C21H30N4O5
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.22
• IUPAC Name: [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate
• SMILES: COc1cc(OC(N)=O)cnc1N1CCC[C@@]2(CCN(C3CCC(O)CC3)C2=O)C1
• InChI: InChI=1S/C21H30N4O5/c1-29-17-11-16(30-20(22)28)12-23-18(17)24-9-2-7-21(13-24)8-10-25(19(21)27)14-3-5-15(26)6-4-14/h11-12,14-15,26H,2-10,13H2,1H3,(H2,22,28)/t14?,15?,21-/m1/s1
• InChIKey: BMMHGGVWEODTRH-ZGDBYOLNSA-N
• XLogP: 1.67
• TPSA: 118.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate (CID 67503941) is [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate.

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

The canonical SMILES for [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate is COc1cc(OC(N)=O)cnc1N1CCC[C@@]2(CCN(C3CCC(O)CC3)C2=O)C1.

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

The InChIKey is BMMHGGVWEODTRH-ZGDBYOLNSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-29-17-11-16(30-20(22)28)12-23-18(17)24-9-2-7-21(13-24)8-10-25(19(21)27)14-3-5-15(26)6-4-14/h11-12,14-15,26H,2-10,13H2,1H3,(H2,22,28)/t14?,15?,21-/m1/s1.

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

[6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate has a molecular weight of 418.49 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]-5-methoxy-3-pyridinyl] carbamate is sourced from PubChem (CID 67503941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).