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

C20H37N5O3 — CID 70764099

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

8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70764099) has the molecular formula C20H37N5O3 and a molecular weight of 395.55 g/mol. Its IUPAC name is 8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70764099
• Molecular Formula: C20H37N5O3
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.29
• IUPAC Name: 8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC(C)N1CCN(CCCN2CC3(CCN(C(=O)CCN)CC3)OC2=O)CC1
• InChI: InChI=1S/C20H37N5O3/c1-17(2)23-14-12-22(13-15-23)8-3-9-25-16-20(28-19(25)27)5-10-24(11-6-20)18(26)4-7-21/h17H,3-16,21H2,1-2H3
• InChIKey: LXAINNQJNBHNOV-UHFFFAOYSA-N
• XLogP: 0.56
• TPSA: 82.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70764099) is 8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

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

The canonical SMILES for 8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)N1CCN(CCCN2CC3(CCN(C(=O)CCN)CC3)OC2=O)CC1.

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

The InChIKey is LXAINNQJNBHNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O3/c1-17(2)23-14-12-22(13-15-23)8-3-9-25-16-20(28-19(25)27)5-10-24(11-6-20)18(26)4-7-21/h17H,3-16,21H2,1-2H3.

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

8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 395.55 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70764099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).