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

C18H34N4O4 — CID 70749314

IUPAC8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCN2CC3(CCN(CC(O)CO)CC3)OC2=O)CC1
InChIInChI=1S/C18H34N4O4/c1-2-19-7-9-20(10-8-19)11-12-22-15-18(26-17(22)25)3-5-21(6-4-18)13-16(24)14-23/h16,23-24H,2-15H2,1H3
InChIKeyUXTBKWBXDPHLLF-UHFFFAOYSA-N
MW370.49 g/mol
LogP-0.74
Rot. Bonds7

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

8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70749314) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70749314
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Name8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCN2CC3(CCN(CC(O)CO)CC3)OC2=O)CC1
InChIInChI=1S/C18H34N4O4/c1-2-19-7-9-20(10-8-19)11-12-22-15-18(26-17(22)25)3-5-21(6-4-18)13-16(24)14-23/h16,23-24H,2-15H2,1H3
InChIKeyUXTBKWBXDPHLLF-UHFFFAOYSA-N
XLogP-0.74
TPSA79.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70727405
8-(2-aminoacetyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154895699
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724574
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746992
[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
CID 70714433
8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70783416
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95894215
8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705001
2-[[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 70743685
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(thiophene-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70759723
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-piperidin-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95874686
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3S)-piperidin-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95874687

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70749314) is 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CCN(CCN2CC3(CCN(CC(O)CO)CC3)OC2=O)CC1.
What is the InChIKey of 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UXTBKWBXDPHLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-2-19-7-9-20(10-8-19)11-12-22-15-18(26-17(22)25)3-5-21(6-4-18)13-16(24)14-23/h16,23-24H,2-15H2,1H3.
What are the key properties of 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 370.49 g/mol, XLogP of -0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70749314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).