4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H27N3O2 — CID 64963520

IUPAC4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCN1CCC(CN2CC(=O)NC3(CCCCC3)C2=O)C1
InChIInChI=1S/C16H27N3O2/c1-2-18-9-6-13(10-18)11-19-12-14(20)17-16(15(19)21)7-4-3-5-8-16/h13H,2-12H2,1H3,(H,17,20)
InChIKeyCFIGFPHBRBFEFV-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.99
Rot. Bonds3

About 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64963520) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64963520
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCN1CCC(CN2CC(=O)NC3(CCCCC3)C2=O)C1
InChIInChI=1S/C16H27N3O2/c1-2-18-9-6-13(10-18)11-19-12-14(20)17-16(15(19)21)7-4-3-5-8-16/h13H,2-12H2,1H3,(H,17,20)
InChIKeyCFIGFPHBRBFEFV-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
CID 64963616
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
4-[(4-methylcyclohexyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970304
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
4-(thiolan-3-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107298582
9-[(1,1-dioxothiolan-3-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969132
4-[(5-methyloxolan-2-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103142003
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878807
4-(2-propylsulfonylethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106733699
4-(3-ethoxypropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958546
4-(4-methylpentyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970002
8-[(1-ethylpyrrolidin-3-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946954

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64963520) is 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is CCN1CCC(CN2CC(=O)NC3(CCCCC3)C2=O)C1.
What is the InChIKey of 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is CFIGFPHBRBFEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-18-9-6-13(10-18)11-19-12-14(20)17-16(15(19)21)7-4-3-5-8-16/h13H,2-12H2,1H3,(H,17,20).
What are the key properties of 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 293.41 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64963520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).