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

C16H30N4O — CID 83263939

IUPAC3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1CC1CN(C)CCN1C
InChIInChI=1S/C16H30N4O/c1-4-14-17-16(7-5-6-8-16)15(21)20(14)12-13-11-18(2)9-10-19(13)3/h13-14,17H,4-12H2,1-3H3
InChIKeyQBFPYZLOTSWYIQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.71
Rot. Bonds3

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

3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83263939) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83263939
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1CC1CN(C)CCN1C
InChIInChI=1S/C16H30N4O/c1-4-14-17-16(7-5-6-8-16)15(21)20(14)12-13-11-18(2)9-10-19(13)3/h13-14,17H,4-12H2,1-3H3
InChIKeyQBFPYZLOTSWYIQ-UHFFFAOYSA-N
XLogP0.71
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83263939) is 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is CCC1NC2(CCCC2)C(=O)N1CC1CN(C)CCN1C.
What is the InChIKey of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is QBFPYZLOTSWYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-14-17-16(7-5-6-8-16)15(21)20(14)12-13-11-18(2)9-10-19(13)3/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 294.44 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83263939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).