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

C15H24N4O2 — CID 118480267

IUPAC2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(=O)N1CCC(C2=NC3(CCNCC3)C(=O)N2C)CC1
InChIInChI=1S/C15H24N4O2/c1-11(20)19-9-3-12(4-10-19)13-17-15(14(21)18(13)2)5-7-16-8-6-15/h12,16H,3-10H2,1-2H3
InChIKeyZEXPNBFTTBCZCJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.24
Rot. Bonds1

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

2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 118480267) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID118480267
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC(=O)N1CCC(C2=NC3(CCNCC3)C(=O)N2C)CC1
InChIInChI=1S/C15H24N4O2/c1-11(20)19-9-3-12(4-10-19)13-17-15(14(21)18(13)2)5-7-16-8-6-15/h12,16H,3-10H2,1-2H3
InChIKeyZEXPNBFTTBCZCJ-UHFFFAOYSA-N
XLogP0.24
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 118480267) is 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC(=O)N1CCC(C2=NC3(CCNCC3)C(=O)N2C)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is ZEXPNBFTTBCZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(20)19-9-3-12(4-10-19)13-17-15(14(21)18(13)2)5-7-16-8-6-15/h12,16H,3-10H2,1-2H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 292.38 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 118480267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).