[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone

C19H22N4O2 — CID 95324469

IUPAC[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone
SMILESCN(c1cccnn1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C19H22N4O2/c1-22(18-7-4-10-20-21-18)15-8-11-23(12-9-15)19(24)17-13-14-5-2-3-6-16(14)25-17/h2-7,10,15,17H,8-9,11-13H2,1H3/t17-/m1/s1
InChIKeyYKCHGLJKJAXXRO-QGZVFWFLSA-N
MW338.41 g/mol
LogP1.91
Rot. Bonds3

About [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone

[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone (PubChem CID 95324469) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone
PubChem CID95324469
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone
SMILESCN(c1cccnn1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C19H22N4O2/c1-22(18-7-4-10-20-21-18)15-8-11-23(12-9-15)19(24)17-13-14-5-2-3-6-16(14)25-17/h2-7,10,15,17H,8-9,11-13H2,1H3/t17-/m1/s1
InChIKeyYKCHGLJKJAXXRO-QGZVFWFLSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687
2,3-dihydro-1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545517
N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796963
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
2,3-dihydro-1-benzofuran-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646983
[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 86893698
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95578540
[(3S)-3-aminopyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone;hydrochloride
CID 119934449
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
2,3-dihydro-1-benzofuran-2-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304626
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 62061970

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone (CID 95324469) is [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone is CN(c1cccnn1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1.
What is the InChIKey of [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone?
The InChIKey is YKCHGLJKJAXXRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(18-7-4-10-20-21-18)15-8-11-23(12-9-15)19(24)17-13-14-5-2-3-6-16(14)25-17/h2-7,10,15,17H,8-9,11-13H2,1H3/t17-/m1/s1.
What are the key properties of [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone?
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 95324469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).