N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

C26H28N4O4 — CID 53070501

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(-n2nc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)ccc2=O)cc1
InChIInChI=1S/C26H28N4O4/c1-2-18-3-6-21(7-4-18)30-25(31)10-9-24(28-30)29-13-11-19(12-14-29)26(32)27-20-5-8-22-23(17-20)34-16-15-33-22/h3-10,17,19H,2,11-16H2,1H3,(H,27,32)
InChIKeySAJSBCMJFXCDTO-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.42
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 53070501) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
PubChem CID53070501
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
SMILESCCc1ccc(-n2nc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)ccc2=O)cc1
InChIInChI=1S/C26H28N4O4/c1-2-18-3-6-21(7-4-18)30-25(31)10-9-24(28-30)29-13-11-19(12-14-29)26(32)27-20-5-8-22-23(17-20)34-16-15-33-22/h3-10,17,19H,2,11-16H2,1H3,(H,27,32)
InChIKeySAJSBCMJFXCDTO-UHFFFAOYSA-N
XLogP3.42
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070565
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53070496
N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070467
(3S)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 95069239
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53070485
1-(6-cyclopropylpyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide
CID 126853993
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170453
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149490
N-(4-ethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070628
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53070709
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
1-[6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50826102

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide (CID 53070501) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is CCc1ccc(-n2nc(N3CCC(C(=O)Nc4ccc5c(c4)OCCO5)CC3)ccc2=O)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is SAJSBCMJFXCDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-2-18-3-6-21(7-4-18)30-25(31)10-9-24(28-30)29-13-11-19(12-14-29)26(32)27-20-5-8-22-23(17-20)34-16-15-33-22/h3-10,17,19H,2,11-16H2,1H3,(H,27,32).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53070501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).