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

C17H33Cl2N5O3 — CID 154895699

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

8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 154895699) has the molecular formula C17H33Cl2N5O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is 8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• PubChem CID: 154895699
• Molecular Formula: C17H33Cl2N5O3
• Molecular Weight: 426.39 g/mol
• Exact Mass: 425.20
• IUPAC Name: 8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• SMILES: CCN1CCN(CCN2CC3(CCN(C(=O)CN)CC3)OC2=O)CC1.Cl.Cl
• InChI: InChI=1S/C17H31N5O3.2ClH/c1-2-19-7-9-20(10-8-19)11-12-22-14-17(25-16(22)24)3-5-21(6-4-17)15(23)13-18;;/h2-14,18H2,1H3;2*1H
• InChIKey: LCVLMRRISFANSZ-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 82.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.39
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 154895699) is 8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

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

The canonical SMILES for 8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is CCN1CCN(CCN2CC3(CCN(C(=O)CN)CC3)OC2=O)CC1.Cl.Cl.

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

The InChIKey is LCVLMRRISFANSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3.2ClH/c1-2-19-7-9-20(10-8-19)11-12-22-14-17(25-16(22)24)3-5-21(6-4-17)15(23)13-18;;/h2-14,18H2,1H3;2*1H.

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

8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 154895699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).