2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one

C16H29N3O2 — CID 114401595

IUPAC2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1CC1CN(CC)CCO1
InChIInChI=1S/C16H29N3O2/c1-3-14-17-16(7-5-6-8-16)15(20)19(14)12-13-11-18(4-2)9-10-21-13/h13-14,17H,3-12H2,1-2H3
InChIKeyCHBGPUSPNAKJQG-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.19
Rot. Bonds4

About 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one

2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 114401595) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID114401595
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1CC1CN(CC)CCO1
InChIInChI=1S/C16H29N3O2/c1-3-14-17-16(7-5-6-8-16)15(20)19(14)12-13-11-18(4-2)9-10-21-13/h13-14,17H,3-12H2,1-2H3
InChIKeyCHBGPUSPNAKJQG-UHFFFAOYSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-(oxolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83255122
5-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 114401683
3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263939
3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246794
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
2,4-diethylmorpholine
CID 58988021
5-(2-methylpropyl)-6-(oxan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256741
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 105421130
2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
5-ethyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83251449

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one (CID 114401595) is 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one is CCC1NC2(CCCC2)C(=O)N1CC1CN(CC)CCO1.
What is the InChIKey of 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is CHBGPUSPNAKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-14-17-16(7-5-6-8-16)15(20)19(14)12-13-11-18(4-2)9-10-21-13/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 295.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 114401595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).