5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane

C14H27N3O — CID 166116859

IUPAC5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
SMILESCC.CN1CCN(C(=O)C2CC23CCNC3)CC1
InChIInChI=1S/C12H21N3O.C2H6/c1-14-4-6-15(7-5-14)11(16)10-8-12(10)2-3-13-9-12;1-2/h10,13H,2-9H2,1H3;1-2H3
InChIKeyOERABBQKHOFKBL-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.79
Rot. Bonds1

About 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane

5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane (PubChem CID 166116859) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
PubChem CID166116859
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
SMILESCC.CN1CCN(C(=O)C2CC23CCNC3)CC1
InChIInChI=1S/C12H21N3O.C2H6/c1-14-4-6-15(7-5-14)11(16)10-8-12(10)2-3-13-9-12;1-2/h10,13H,2-9H2,1H3;1-2H3
InChIKeyOERABBQKHOFKBL-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-azaspiro[2.4]heptan-2-yl(pyrrolidin-1-yl)methanone
CID 131208946
[(2R,3S)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492765
5-azaspiro[2.4]heptan-2-yl(1,4-oxazepan-4-yl)methanone
CID 138039435
6-azaspiro[2.5]octan-2-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103872611
6-azaspiro[2.5]octan-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355935
6-azaspiro[2.5]octan-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958673
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
6-azaspiro[2.5]octan-2-yl-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103533074
5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 154864233
[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120905036
6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409039
6-azaspiro[2.5]octan-2-yl-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696224

Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane?
The IUPAC name of 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane (CID 166116859) is 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane.
What is the SMILES notation for 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane?
The canonical SMILES for 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane is CC.CN1CCN(C(=O)C2CC23CCNC3)CC1.
What is the InChIKey of 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane?
The InChIKey is OERABBQKHOFKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O.C2H6/c1-14-4-6-15(7-5-14)11(16)10-8-12(10)2-3-13-9-12;1-2/h10,13H,2-9H2,1H3;1-2H3.
What are the key properties of 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane?
5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane has a molecular weight of 253.39 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane is sourced from PubChem (CID 166116859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).