N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

C18H20N4O4 — CID 91924029

IUPACN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCn1ncc(N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1=O
InChIInChI=1S/C18H20N4O4/c1-21-17(23)9-14(10-19-21)22-6-4-13(5-7-22)20-18(24)12-2-3-15-16(8-12)26-11-25-15/h2-3,8-10,13H,4-7,11H2,1H3,(H,20,24)
InChIKeyBNXJFHCBUXTOIS-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.91
Rot. Bonds3

About N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 91924029) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID91924029
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCn1ncc(N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1=O
InChIInChI=1S/C18H20N4O4/c1-21-17(23)9-14(10-19-21)22-6-4-13(5-7-22)20-18(24)12-2-3-15-16(8-12)26-11-25-15/h2-3,8-10,13H,4-7,11H2,1H3,(H,20,24)
InChIKeyBNXJFHCBUXTOIS-UHFFFAOYSA-N
XLogP0.91
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91924018
3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91911758
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
CID 110821823
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
5-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 29150750
N-(1-methylsulfonylpyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 110866984
7-chloro-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 95629631
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (CID 91924029) is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is Cn1ncc(N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1=O.
What is the InChIKey of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is BNXJFHCBUXTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-21-17(23)9-14(10-19-21)22-6-4-13(5-7-22)20-18(24)12-2-3-15-16(8-12)26-11-25-15/h2-3,8-10,13H,4-7,11H2,1H3,(H,20,24).
What are the key properties of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 91924029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).