3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine

C22H28N4O2 — CID 146419424

IUPAC3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine
SMILESc1cnnc(N2CCC(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-4-22(24-23-9-1)25-11-7-17(8-12-25)16-26-10-2-3-19(26)18-5-6-20-21(15-18)28-14-13-27-20/h1,4-6,9,15,17,19H,2-3,7-8,10-14,16H2/t19-/m1/s1
InChIKeyBUCGSMBPVFZRDK-LJQANCHMSA-N
MW380.49 g/mol
LogP3.30
Rot. Bonds4

About 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine

3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine (PubChem CID 146419424) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine
PubChem CID146419424
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine
SMILESc1cnnc(N2CCC(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-4-22(24-23-9-1)25-11-7-17(8-12-25)16-26-10-2-3-19(26)18-5-6-20-21(15-18)28-14-13-27-20/h1,4-6,9,15,17,19H,2-3,7-8,10-14,16H2/t19-/m1/s1
InChIKeyBUCGSMBPVFZRDK-LJQANCHMSA-N
XLogP3.30
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine?
The IUPAC name of 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine (CID 146419424) is 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine?
The canonical SMILES for 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine is c1cnnc(N2CCC(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)CC2)c1.
What is the InChIKey of 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine?
The InChIKey is BUCGSMBPVFZRDK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-22(24-23-9-1)25-11-7-17(8-12-25)16-26-10-2-3-19(26)18-5-6-20-21(15-18)28-14-13-27-20/h1,4-6,9,15,17,19H,2-3,7-8,10-14,16H2/t19-/m1/s1.
What are the key properties of 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine?
3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine has a molecular weight of 380.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridazine is sourced from PubChem (CID 146419424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).