[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea

C18H32N6O4 — CID 70714433

IUPAC[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
SMILESCCN1CCN(CCN2CC3(CCN(C(=O)CNC(N)=O)CC3)OC2=O)CC1
InChIInChI=1S/C18H32N6O4/c1-2-21-7-9-22(10-8-21)11-12-24-14-18(28-17(24)27)3-5-23(6-4-18)15(25)13-20-16(19)26/h2-14H2,1H3,(H3,19,20,26)
InChIKeyBDORAWSLJWGGRR-UHFFFAOYSA-N
MW396.49 g/mol
LogP-0.89
Rot. Bonds6

About [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea

[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea (PubChem CID 70714433) has the molecular formula C18H32N6O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
PubChem CID70714433
Molecular FormulaC18H32N6O4
Molecular Weight396.49 g/mol
Exact Mass396.25
IUPAC Name[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea
SMILESCCN1CCN(CCN2CC3(CCN(C(=O)CNC(N)=O)CC3)OC2=O)CC1
InChIInChI=1S/C18H32N6O4/c1-2-21-7-9-22(10-8-21)11-12-24-14-18(28-17(24)27)3-5-23(6-4-18)15(25)13-20-16(19)26/h2-14H2,1H3,(H3,19,20,26)
InChIKeyBDORAWSLJWGGRR-UHFFFAOYSA-N
XLogP-0.89
TPSA111.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70727405
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(2S)-2-(methylamino)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724574
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
[2-oxo-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]urea
CID 70772627
8-(2,3-dihydroxypropyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749314
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(thiophene-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70759723
8-(3-aminopropanoyl)-3-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70764099
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-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95894215
8-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70783416
8-(2-amino-2-methylpropyl)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705001

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea?
The IUPAC name of [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) is [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea is CCN1CCN(CCN2CC3(CCN(C(=O)CNC(N)=O)CC3)OC2=O)CC1.
What is the InChIKey of [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea?
The InChIKey is BDORAWSLJWGGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O4/c1-2-21-7-9-22(10-8-21)11-12-24-14-18(28-17(24)27)3-5-23(6-4-18)15(25)13-20-16(19)26/h2-14H2,1H3,(H3,19,20,26).
What are the key properties of [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea?
[2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea has a molecular weight of 396.49 g/mol, XLogP of -0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]urea is sourced from PubChem (CID 70714433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).