N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C18H22N4O3 — CID 91631941

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cccc4c3OCCO4)CC2)n[nH]1
InChIInChI=1S/C18H22N4O3/c1-12-11-16(21-20-12)22-7-5-13(6-8-22)19-18(23)14-3-2-4-15-17(14)25-10-9-24-15/h2-4,11,13H,5-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyMCAHBSHHNAOQCG-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.89
Rot. Bonds3

About N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 91631941) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID91631941
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3cccc4c3OCCO4)CC2)n[nH]1
InChIInChI=1S/C18H22N4O3/c1-12-11-16(21-20-12)22-7-5-13(6-8-22)19-18(23)14-3-2-4-15-17(14)25-10-9-24-15/h2-4,11,13H,5-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyMCAHBSHHNAOQCG-UHFFFAOYSA-N
XLogP1.89
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-4-morpholin-4-ylbenzamide
CID 91631942
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 90634902
3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 91631956
N-(1-benzylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 20544688
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1-phenylcyclopropane-1-carboxamide
CID 91631973
(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743768
(2R)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743783
N-[4-(6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 126934255
2,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528162
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 55100680
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
CID 136577969
methyl 2-[[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]sulfamoylmethyl]benzoate
CID 91651763

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 91631941) is N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is Cc1cc(N2CCC(NC(=O)c3cccc4c3OCCO4)CC2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is MCAHBSHHNAOQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-11-16(21-20-12)22-7-5-13(6-8-22)19-18(23)14-3-2-4-15-17(14)25-10-9-24-15/h2-4,11,13H,5-10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 91631941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).