N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C18H20N4O4 — CID 53202064

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C18H20N4O4/c23-17-8-14(10-20-21-17)22-5-3-13(4-6-22)18(24)19-9-12-1-2-15-16(7-12)26-11-25-15/h1-2,7-8,10,13H,3-6,9,11H2,(H,19,24)(H,21,23)
InChIKeyRBSQIJMQNAETCM-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.03
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202064) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202064
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C18H20N4O4/c23-17-8-14(10-20-21-17)22-5-3-13(4-6-22)18(24)19-9-12-1-2-15-16(7-12)26-11-25-15/h1-2,7-8,10,13H,3-6,9,11H2,(H,19,24)(H,21,23)
InChIKeyRBSQIJMQNAETCM-UHFFFAOYSA-N
XLogP1.03
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]cyclohexane-1-carboxamide
CID 5309535
N-(1,3-benzodioxol-5-ylmethyl)-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 3242002
N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(3-fluorobenzyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42161908
"N-(1,3-benzodioxol-5-ylmethyl)-8-ethoxy-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxamide"
CID 91914298
1-(2-((Benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoethyl)piperidine-4-carboxamide
CID 2811678
1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 2903344
1-(1,3-benzodioxol-5-ylmethyl)-N-(4-methoxybenzyl)piperidine-4-carboxamide
CID 2903356
N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2(3H)-yl)acetamide
CID 46360909
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-1-(3-ethyl-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-YL)piperidine-4-carboxamide
CID 46381375
N-(1,3-benzodioxol-5-yl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202014
N-[1-(3-methoxyphenyl)ethyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202071
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202127

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202064) is N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is RBSQIJMQNAETCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-17-8-14(10-20-21-17)22-5-3-13(4-6-22)18(24)19-9-12-1-2-15-16(7-12)26-11-25-15/h1-2,7-8,10,13H,3-6,9,11H2,(H,19,24)(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).