8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H40N4O2 — CID 70709572

About 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70709572) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70709572
• Molecular Formula: C22H40N4O2
• Molecular Weight: 392.59 g/mol
• Exact Mass: 392.32
• IUPAC Name: 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC(C)N1CCN(CCN2CC3(CCN(CC4CCCC4)CC3)OC2=O)CC1
• InChI: InChI=1S/C22H40N4O2/c1-19(2)25-14-11-23(12-15-25)13-16-26-18-22(28-21(26)27)7-9-24(10-8-22)17-20-5-3-4-6-20/h19-20H,3-18H2,1-2H3
• InChIKey: SWIVOXCCMOVBNY-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 39.26 Ų
• 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	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70709572) is 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)N1CCN(CCN2CC3(CCN(CC4CCCC4)CC3)OC2=O)CC1.

What is the InChIKey of 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

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

What are the key properties of 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 392.59 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopentylmethyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70709572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).