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

C20H36N4O3 — CID 70784108

IUPAC3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCCN2CC3(CCN(C4CCOC4)CC3)OC2=O)CC1
InChIInChI=1S/C20H36N4O3/c1-2-21-11-13-22(14-12-21)7-3-8-24-17-20(27-19(24)25)5-9-23(10-6-20)18-4-15-26-16-18/h18H,2-17H2,1H3
InChIKeyUVFIXYWDSBGQSD-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.09
Rot. Bonds6

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

3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70784108) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70784108
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CCN(CCCN2CC3(CCN(C4CCOC4)CC3)OC2=O)CC1
InChIInChI=1S/C20H36N4O3/c1-2-21-11-13-22(14-12-21)7-3-8-24-17-20(27-19(24)25)5-9-23(10-6-20)18-4-15-26-16-18/h18H,2-17H2,1H3
InChIKeyUVFIXYWDSBGQSD-UHFFFAOYSA-N
XLogP1.09
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-cyclohexyl-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70748725
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
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-(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-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705001
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
1-(oxolan-3-yl)-4-propylpiperazine
CID 178050247
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70784108) is 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CCN(CCCN2CC3(CCN(C4CCOC4)CC3)OC2=O)CC1.
What is the InChIKey of 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UVFIXYWDSBGQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-2-21-11-13-22(14-12-21)7-3-8-24-17-20(27-19(24)25)5-9-23(10-6-20)18-4-15-26-16-18/h18H,2-17H2,1H3.
What are the key properties of 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 380.53 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylpiperazin-1-yl)propyl]-8-(oxolan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70784108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).