5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one

C16H26N4O2 — CID 119593718

IUPAC5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2CCCC(C(C)N)C2)c1CC
InChIInChI=1S/C16H26N4O2/c1-4-12-13(5-2)18-19-15(21)14(12)16(22)20-8-6-7-11(9-20)10(3)17/h10-11H,4-9,17H2,1-3H3,(H,19,21)
InChIKeyBSBXPWOXMAWTIS-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.09
Rot. Bonds4

About 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one

5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one (PubChem CID 119593718) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one
PubChem CID119593718
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2CCCC(C(C)N)C2)c1CC
InChIInChI=1S/C16H26N4O2/c1-4-12-13(5-2)18-19-15(21)14(12)16(22)20-8-6-7-11(9-20)10(3)17/h10-11H,4-9,17H2,1-3H3,(H,19,21)
InChIKeyBSBXPWOXMAWTIS-UHFFFAOYSA-N
XLogP1.09
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
CID 71920567
5-(2,2-dimethyl-1-oxo-1,4-thiazinane-4-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
CID 71920426
[3-(1-aminoethyl)piperidin-1-yl]-(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119595333
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
CID 125146165
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)methanone
CID 113360699
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125135480
3,4-diethyl-5-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-1H-pyridazin-6-one
CID 129486252
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one (CID 119593718) is 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(C(=O)N2CCCC(C(C)N)C2)c1CC.
What is the InChIKey of 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one?
The InChIKey is BSBXPWOXMAWTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-12-13(5-2)18-19-15(21)14(12)16(22)20-8-6-7-11(9-20)10(3)17/h10-11H,4-9,17H2,1-3H3,(H,19,21).
What are the key properties of 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one?
5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one has a molecular weight of 306.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminoethyl)piperidine-1-carbonyl]-3,4-diethyl-1H-pyridazin-6-one is sourced from PubChem (CID 119593718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).