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

C19H37Cl2N5O3 — CID 154894886

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

8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 154894886) has the molecular formula C19H37Cl2N5O3 and a molecular weight of 454.44 g/mol. Its IUPAC name is 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• PubChem CID: 154894886
• Molecular Formula: C19H37Cl2N5O3
• Molecular Weight: 454.44 g/mol
• Exact Mass: 453.23
• IUPAC Name: 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• SMILES: CC(C)N1CCN(CCN2CC3(CCN(C(=O)CCN)CC3)OC2=O)CC1.Cl.Cl
• InChI: InChI=1S/C19H35N5O3.2ClH/c1-16(2)22-12-9-21(10-13-22)11-14-24-15-19(27-18(24)26)4-7-23(8-5-19)17(25)3-6-20;;/h16H,3-15,20H2,1-2H3;2*1H
• InChIKey: MEBVNWALLGDRKY-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 82.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.44
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 154894886) is 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

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

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

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

The InChIKey is MEBVNWALLGDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3.2ClH/c1-16(2)22-12-9-21(10-13-22)11-14-24-15-19(27-18(24)26)4-7-23(8-5-19)17(25)3-6-20;;/h16H,3-15,20H2,1-2H3;2*1H.

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

8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 454.44 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-aminopropanoyl)-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 154894886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).