N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

C19H22N4O4 — CID 53202127

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1=O
InChIInChI=1S/C19H22N4O4/c1-22-18(24)9-15(11-21-22)23-6-4-14(5-7-23)19(25)20-10-13-2-3-16-17(8-13)27-12-26-16/h2-3,8-9,11,14H,4-7,10,12H2,1H3,(H,20,25)
InChIKeyCEQVSVIPUZGBOC-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.04
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202127) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202127
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1=O
InChIInChI=1S/C19H22N4O4/c1-22-18(24)9-15(11-21-22)23-6-4-14(5-7-23)19(25)20-10-13-2-3-16-17(8-13)27-12-26-16/h2-3,8-9,11,14H,4-7,10,12H2,1H3,(H,20,25)
InChIKeyCEQVSVIPUZGBOC-UHFFFAOYSA-N
XLogP1.04
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
Benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 2811287
N-(1,3-benzodioxol-5-ylmethyl)-1-[(diisobutylamino)sulfonyl]piperidine-4-carboxamide
CID 5323315
N-(1,3-benzodioxol-5-ylmethyl)-1-(diethylsulfamoyl)piperidine-4-carboxamide
CID 4320917
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-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 3688965
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 4694780
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)-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72049640
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72049982
1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylurea
CID 72059960
"N-(1,3-benzodioxol-5-ylmethyl)-8-ethoxy-6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxamide"
CID 91914298

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide (CID 53202127) is N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is Cn1ncc(N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is CEQVSVIPUZGBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-18(24)9-15(11-21-22)23-6-4-14(5-7-23)19(25)20-10-13-2-3-16-17(8-13)27-12-26-16/h2-3,8-9,11,14H,4-7,10,12H2,1H3,(H,20,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).