methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate

C13H19N3O4 — CID 16925248

IUPACmethyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cn(C)nc2OC)CC1
InChIInChI=1S/C13H19N3O4/c1-15-8-10(11(14-15)19-2)12(17)16-6-4-9(5-7-16)13(18)20-3/h8-9H,4-7H2,1-3H3
InChIKeyJCDJXIFJYGGDPL-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.45
Rot. Bonds3

About methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate

methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 16925248) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID16925248
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cn(C)nc2OC)CC1
InChIInChI=1S/C13H19N3O4/c1-15-8-10(11(14-15)19-2)12(17)16-6-4-9(5-7-16)13(18)20-3/h8-9H,4-7H2,1-3H3
InChIKeyJCDJXIFJYGGDPL-UHFFFAOYSA-N
XLogP0.45
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxy-1-methyl-1H-pyrazol-4-yl)(4-methylpiperidin-1-yl)methanone
CID 16925246
(4-(5-isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanone
CID 45540384
(4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanone
CID 45540793
N-Ethyl-3-methoxy-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 45097881
1-(3-propoxy-1-propyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 16925595
1-(3-methoxy-1-methyl-1H-pyrazole-4-carbonyl)-N-(4-methylpiperazin-1-yl)piperidine-4-carboxamide
CID 49678125
methyl 4-((3-methoxy-1-methyl-1H-pyrazole-4-carboxamido)methyl)piperidine-1-carboxylate
CID 49688740
1-(3-methoxy-1-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676929
(3-methoxy-1-methyl-1H-pyrazol-4-yl)(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 90539952
(4,4-difluoropiperidin-1-yl)(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanone
CID 121184572
1-(3-methoxy-1-methyl-1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 134160468
ethyl 1-(3-ethoxy-1-ethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate
CID 16802431

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate (CID 16925248) is methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cn(C)nc2OC)CC1.
What is the InChIKey of methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is JCDJXIFJYGGDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-15-8-10(11(14-15)19-2)12(17)16-6-4-9(5-7-16)13(18)20-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 16925248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).