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

C17H31N3O — CID 83248460

IUPAC3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)C1NC2(CCCC2)C(=O)N1CC1CCCCN1C
InChIInChI=1S/C17H31N3O/c1-13(2)15-18-17(9-5-6-10-17)16(21)20(15)12-14-8-4-7-11-19(14)3/h13-15,18H,4-12H2,1-3H3
InChIKeyGSYKKJXAFNZSPO-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.20
Rot. Bonds3

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

3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83248460) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83248460
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)C1NC2(CCCC2)C(=O)N1CC1CCCCN1C
InChIInChI=1S/C17H31N3O/c1-13(2)15-18-17(9-5-6-10-17)16(21)20(15)12-14-8-4-7-11-19(14)3/h13-15,18H,4-12H2,1-3H3
InChIKeyGSYKKJXAFNZSPO-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one (CID 83248460) is 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one is CC(C)C1NC2(CCCC2)C(=O)N1CC1CCCCN1C.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is GSYKKJXAFNZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)15-18-17(9-5-6-10-17)16(21)20(15)12-14-8-4-7-11-19(14)3/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 293.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83248460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).