3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H40N4O2 — CID 70777554

About 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70777554) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70777554
• Molecular Formula: C22H40N4O2
• Molecular Weight: 392.59 g/mol
• Exact Mass: 392.32
• IUPAC Name: 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CN(CCCN1CC2(CCN(C3CCCNC3)CC2)OC1=O)C1CCCCC1
• InChI: InChI=1S/C22H40N4O2/c1-24(19-7-3-2-4-8-19)13-6-14-26-18-22(28-21(26)27)10-15-25(16-11-22)20-9-5-12-23-17-20/h19-20,23H,2-18H2,1H3
• InChIKey: QPFFFDPGNRLFDF-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 48.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.59
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70777554) is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(CCCN1CC2(CCN(C3CCCNC3)CC2)OC1=O)C1CCCCC1.

What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is QPFFFDPGNRLFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-24(19-7-3-2-4-8-19)13-6-14-26-18-22(28-21(26)27)10-15-25(16-11-22)20-9-5-12-23-17-20/h19-20,23H,2-18H2,1H3.

What are the key properties of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 392.59 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-piperidin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70777554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).