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

C18H31N5O2 — CID 46990243

IUPAC8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN(CC)C1=NC2(CCN(C3CCN(C(C)=O)CC3)CC2)C(=O)N1
InChIInChI=1S/C18H31N5O2/c1-4-21(5-2)17-19-16(25)18(20-17)8-12-23(13-9-18)15-6-10-22(11-7-15)14(3)24/h15H,4-13H2,1-3H3,(H,19,20,25)
InChIKeyZZDMLLHVSYAMFO-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.66
Rot. Bonds3

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

8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 46990243) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID46990243
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN(CC)C1=NC2(CCN(C3CCN(C(C)=O)CC3)CC2)C(=O)N1
InChIInChI=1S/C18H31N5O2/c1-4-21(5-2)17-19-16(25)18(20-17)8-12-23(13-9-18)15-6-10-22(11-7-15)14(3)24/h15H,4-13H2,1-3H3,(H,19,20,25)
InChIKeyZZDMLLHVSYAMFO-UHFFFAOYSA-N
XLogP0.66
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Related Compounds

2-(3-Methylbutyl)-8-[(4-methylpiperazin-1-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46999670
3-[2-(1-Acetylpiperidin-4-yl)ethyl]-2-amino-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 57843697
3-[(1-Acetylpiperidin-3-yl)methyl]-2-amino-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 57843893
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 57844064
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 57844120
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-tert-butylpiperidine-1-carboxamide
CID 57844529
2-(4-Butylpiperidin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
CID 66818560
Tert-butyl 2-(4-butylpiperidin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 68097518
2-(4-Butylpiperidin-1-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70828863
Methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 129173240
1-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 141029354
2-Butyl-8-(piperidine-1-carbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592075

Frequently Asked Questions

What is the IUPAC name of 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 46990243) is 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCN(CC)C1=NC2(CCN(C3CCN(C(C)=O)CC3)CC2)C(=O)N1.
What is the InChIKey of 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is ZZDMLLHVSYAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-4-21(5-2)17-19-16(25)18(20-17)8-12-23(13-9-18)15-6-10-22(11-7-15)14(3)24/h15H,4-13H2,1-3H3,(H,19,20,25).
What are the key properties of 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 349.48 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 46990243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).