azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane

C15H28N2O — CID 145047717

IUPACazetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
SMILESCC.CN1CC2(CCC(C(=O)N3CCC3)CC2)C1
InChIInChI=1S/C13H22N2O.C2H6/c1-14-9-13(10-14)5-3-11(4-6-13)12(16)15-7-2-8-15;1-2/h11H,2-10H2,1H3;1-2H3
InChIKeyBFMVASKHDPBZRQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.37
Rot. Bonds1

About azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane

azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane (PubChem CID 145047717) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane.

Molecular Properties

Compound Nameazetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
PubChem CID145047717
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Nameazetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
SMILESCC.CN1CC2(CCC(C(=O)N3CCC3)CC2)C1
InChIInChI=1S/C13H22N2O.C2H6/c1-14-9-13(10-14)5-3-11(4-6-13)12(16)15-7-2-8-15;1-2/h11H,2-10H2,1H3;1-2H3
InChIKeyBFMVASKHDPBZRQ-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
1-(2-methyl-2-azaspiro[3.5]nonan-7-yl)ethanone
CID 154988241
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 169258026
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
CID 176684065
cyclopropyl-[2-[(2,7-dimethyl-2,7-diazaspiro[3.5]nonan-6-yl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 166713395
1-[4-[4-[(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683548
1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
CID 168882358
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane?
The IUPAC name of azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane (CID 145047717) is azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane.
What is the SMILES notation for azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane?
The canonical SMILES for azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane is CC.CN1CC2(CCC(C(=O)N3CCC3)CC2)C1.
What is the InChIKey of azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane?
The InChIKey is BFMVASKHDPBZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.C2H6/c1-14-9-13(10-14)5-3-11(4-6-13)12(16)15-7-2-8-15;1-2/h11H,2-10H2,1H3;1-2H3.
What are the key properties of azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane?
azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane has a molecular weight of 252.40 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane is sourced from PubChem (CID 145047717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).