N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide

C20H24N6O4 — CID 122335144

IUPACN-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C20H24N6O4/c27-20(21-15-1-2-16-17(13-15)30-14-29-16)26-7-5-24(6-8-26)18-3-4-19(23-22-18)25-9-11-28-12-10-25/h1-4,13H,5-12,14H2,(H,21,27)
InChIKeyRCXNSQKFOQDFBY-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.40
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 122335144) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
PubChem CID122335144
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C20H24N6O4/c27-20(21-15-1-2-16-17(13-15)30-14-29-16)26-7-5-24(6-8-26)18-3-4-19(23-22-18)25-9-11-28-12-10-25/h1-4,13H,5-12,14H2,(H,21,27)
InChIKeyRCXNSQKFOQDFBY-UHFFFAOYSA-N
XLogP1.40
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50947655
N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335147
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 47000985
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 42111913
N-(1,3-benzodioxol-5-yl)-1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117083577
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114690
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748059
N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50946417
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536
N-(1,3-benzodioxol-5-yl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113934
4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
CID 113114155

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide (CID 122335144) is N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is RCXNSQKFOQDFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4/c27-20(21-15-1-2-16-17(13-15)30-14-29-16)26-7-5-24(6-8-26)18-3-4-19(23-22-18)25-9-11-28-12-10-25/h1-4,13H,5-12,14H2,(H,21,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122335144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).