2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C16H27N5O2 — CID 138807413

IUPAC2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(CC3CCC(=O)N(C)C3)CC2)C(=O)N1
InChIInChI=1S/C16H27N5O2/c1-19(2)15-17-14(23)16(18-15)6-8-21(9-7-16)11-12-4-5-13(22)20(3)10-12/h12H,4-11H2,1-3H3,(H,17,18,23)
InChIKeyDMRQLVXASCZSCT-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.26
Rot. Bonds2

About 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 138807413) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID138807413
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(CC3CCC(=O)N(C)C3)CC2)C(=O)N1
InChIInChI=1S/C16H27N5O2/c1-19(2)15-17-14(23)16(18-15)6-8-21(9-7-16)11-12-4-5-13(22)20(3)10-12/h12H,4-11H2,1-3H3,(H,17,18,23)
InChIKeyDMRQLVXASCZSCT-UHFFFAOYSA-N
XLogP-0.26
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 138807413) is 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(CC3CCC(=O)N(C)C3)CC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is DMRQLVXASCZSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-19(2)15-17-14(23)16(18-15)6-8-21(9-7-16)11-12-4-5-13(22)20(3)10-12/h12H,4-11H2,1-3H3,(H,17,18,23).
What are the key properties of 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 321.43 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[(1-methyl-6-oxopiperidin-3-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 138807413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).