N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C24H22N8O4 — CID 30748249

IUPACN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C24H22N8O4/c33-23(15-9-11-31(12-10-15)22-8-7-21-27-29-30-32(21)28-22)26-18-4-2-1-3-17(18)24(34)25-16-5-6-19-20(13-16)36-14-35-19/h1-8,13,15H,9-12,14H2,(H,25,34)(H,26,33)
InChIKeySJQJZISSSTYHLA-UHFFFAOYSA-N
MW486.49 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 30748249) has the molecular formula C24H22N8O4 and a molecular weight of 486.49 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID30748249
Molecular FormulaC24H22N8O4
Molecular Weight486.49 g/mol
Exact Mass486.18
IUPAC NameN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C24H22N8O4/c33-23(15-9-11-31(12-10-15)22-8-7-21-27-29-30-32(21)28-22)26-18-4-2-1-3-17(18)24(34)25-16-5-6-19-20(13-16)36-14-35-19/h1-8,13,15H,9-12,14H2,(H,25,34)(H,26,33)
InChIKeySJQJZISSSTYHLA-UHFFFAOYSA-N
XLogP2.36
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 8850769
N-[2-(difluoromethylsulfanyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748614
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 154837363
N-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313483
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
(2S)-1-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 40813358
N-(1,3-benzodioxol-5-yl)-1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117083577
N-(1,3-benzodioxol-5-yl)-1-[6-(pyrimidin-4-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117092300
N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 167759639
N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
CID 167838729
N-(1-benzofuran-2-ylmethyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 87001291

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 30748249) is N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is SJQJZISSSTYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O4/c33-23(15-9-11-31(12-10-15)22-8-7-21-27-29-30-32(21)28-22)26-18-4-2-1-3-17(18)24(34)25-16-5-6-19-20(13-16)36-14-35-19/h1-8,13,15H,9-12,14H2,(H,25,34)(H,26,33).
What are the key properties of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30748249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).