2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one

C17H31N3O — CID 170592204

IUPAC2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one
SMILESCCCC/C1=N/CCCCCC(=O)N1CC1CCNCC1
InChIInChI=1S/C17H31N3O/c1-2-3-7-16-19-11-6-4-5-8-17(21)20(16)14-15-9-12-18-13-10-15/h15,18H,2-14H2,1H3/b19-16-
InChIKeyYFMORDZFLVYOEU-MNDPQUGUSA-N
MW293.45 g/mol
LogP2.98
Rot. Bonds5

About 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one

2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one (PubChem CID 170592204) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one.

Molecular Properties

Compound Name2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one
PubChem CID170592204
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one
SMILESCCCC/C1=N/CCCCCC(=O)N1CC1CCNCC1
InChIInChI=1S/C17H31N3O/c1-2-3-7-16-19-11-6-4-5-8-17(21)20(16)14-15-9-12-18-13-10-15/h15,18H,2-14H2,1H3/b19-16-
InChIKeyYFMORDZFLVYOEU-MNDPQUGUSA-N
XLogP2.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one with MolForge

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Launch Full Analysis

Related Compounds

2-Ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
CID 90089683
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide
CID 123794760
N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide
CID 135150473
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-4-yl]ethyl]guanidine
CID 137192530
2-(5-Methyliminopyrrolidin-3-yl)-1-piperidin-1-ylethanone
CID 137298091
N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
CID 163585117
2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one;ethane;molecular hydrogen
CID 170592203
2-Butyl-3-(piperidin-4-ylmethyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 175991121
(2-Methyl-4,5-dihydroimidazol-1-yl)-piperidin-4-ylmethanone
CID 22690139

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one?
The IUPAC name of 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one (CID 170592204) is 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one.
What is the SMILES notation for 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one?
The canonical SMILES for 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one is CCCC/C1=N/CCCCCC(=O)N1CC1CCNCC1.
What is the InChIKey of 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one?
The InChIKey is YFMORDZFLVYOEU-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H31N3O/c1-2-3-7-16-19-11-6-4-5-8-17(21)20(16)14-15-9-12-18-13-10-15/h15,18H,2-14H2,1H3/b19-16-.
What are the key properties of 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one?
2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one has a molecular weight of 293.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-1,3-diazonin-9-one is sourced from PubChem (CID 170592204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).