2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

C18H32N2O — CID 102558215

IUPAC2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCC3(CCCCC3)C2)CC1
InChIInChI=1S/C18H32N2O/c1-15-6-11-19(12-7-15)17(21)16(2)20-13-10-18(14-20)8-4-3-5-9-18/h15-16H,3-14H2,1-2H3
InChIKeyVHIYQCZCDHCSNA-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.29
Rot. Bonds2

About 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 102558215) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID102558215
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCC3(CCCCC3)C2)CC1
InChIInChI=1S/C18H32N2O/c1-15-6-11-19(12-7-15)17(21)16(2)20-13-10-18(14-20)8-4-3-5-9-18/h15-16H,3-14H2,1-2H3
InChIKeyVHIYQCZCDHCSNA-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
CID 130161407
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120776079
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231
1-(azepan-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 113249921
1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 82042068
3-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107325006
3-methyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 63147851
3-amino-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 107324760
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
(2R)-1-(azepan-1-yl)-2-(4,4-dimethylazepan-1-yl)propan-1-one
CID 99811252

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 102558215) is 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)N2CCC3(CCCCC3)C2)CC1.
What is the InChIKey of 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is VHIYQCZCDHCSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15-6-11-19(12-7-15)17(21)16(2)20-13-10-18(14-20)8-4-3-5-9-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 292.47 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 102558215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).