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

C19H34N4O3 — CID 95894215

IUPAC3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCN2CC3(CCN([C@@H]4CCOC4)CC3)OC2=O)CC1
InChIInChI=1S/C19H34N4O3/c1-2-20-8-10-21(11-9-20)12-13-23-16-19(26-18(23)24)4-6-22(7-5-19)17-3-14-25-15-17/h17H,2-16H2,1H3/t17-/m1/s1
InChIKeyYKVZGUBZBRTMPV-QGZVFWFLSA-N
MW366.51 g/mol
LogP0.70
Rot. Bonds5

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

3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95894215) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95894215
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCN2CC3(CCN([C@@H]4CCOC4)CC3)OC2=O)CC1
InChIInChI=1S/C19H34N4O3/c1-2-20-8-10-21(11-9-20)12-13-23-16-19(26-18(23)24)4-6-22(7-5-19)17-3-14-25-15-17/h17H,2-16H2,1H3/t17-/m1/s1
InChIKeyYKVZGUBZBRTMPV-QGZVFWFLSA-N
XLogP0.70
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70784108
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
8-cyclohexyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70748725
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95861766
3-[2-[methyl(2-phenylethyl)amino]ethyl]-8-[(3S)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95860803
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70727405
3-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95883003
8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749314
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-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746992
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724574

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95894215) is 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CCN(CCN2CC3(CCN([C@@H]4CCOC4)CC3)OC2=O)CC1.
What is the InChIKey of 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YKVZGUBZBRTMPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-2-20-8-10-21(11-9-20)12-13-23-16-19(26-18(23)24)4-6-22(7-5-19)17-3-14-25-15-17/h17H,2-16H2,1H3/t17-/m1/s1.
What are the key properties of 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 366.51 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95894215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).