2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one

C16H28N4O — CID 59279744

IUPAC2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1C(C)C
InChIInChI=1S/C16H28N4O/c1-12(2)20-13(3)18-16(15(20)21)7-4-10-19(11-16)14-5-8-17-9-6-14/h12,14,17H,4-11H2,1-3H3
InChIKeyQJJPIRZDCTXVEC-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one

2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 59279744) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
PubChem CID59279744
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1C(C)C
InChIInChI=1S/C16H28N4O/c1-12(2)20-13(3)18-16(15(20)21)7-4-10-19(11-16)14-5-8-17-9-6-14/h12,14,17H,4-11H2,1-3H3
InChIKeyQJJPIRZDCTXVEC-UHFFFAOYSA-N
XLogP1.24
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one (CID 59279744) is 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1C(C)C.
What is the InChIKey of 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is QJJPIRZDCTXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)20-13(3)18-16(15(20)21)7-4-10-19(11-16)14-5-8-17-9-6-14/h12,14,17H,4-11H2,1-3H3.
What are the key properties of 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 292.43 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-piperidin-4-yl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 59279744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).