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

C16H28N4O — CID 71103994

IUPAC2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCCC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1CC
InChIInChI=1S/C16H28N4O/c1-3-14-18-16(15(21)20(14)4-2)8-5-11-19(12-16)13-6-9-17-10-7-13/h13,17H,3-12H2,1-2H3
InChIKeyYGNWTXLWDZHBCO-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.24
Rot. Bonds3

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

2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 71103994) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
PubChem CID71103994
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
SMILESCCC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1CC
InChIInChI=1S/C16H28N4O/c1-3-14-18-16(15(21)20(14)4-2)8-5-11-19(12-16)13-6-9-17-10-7-13/h13,17H,3-12H2,1-2H3
InChIKeyYGNWTXLWDZHBCO-UHFFFAOYSA-N
XLogP1.24
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one (CID 71103994) is 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one is CCC1=NC2(CCCN(C3CCNCC3)C2)C(=O)N1CC.
What is the InChIKey of 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is YGNWTXLWDZHBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-14-18-16(15(21)20(14)4-2)8-5-11-19(12-16)13-6-9-17-10-7-13/h13,17H,3-12H2,1-2H3.
What are the key properties of 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one?
2,3-diethyl-9-piperidin-4-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, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 71103994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).