[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C13H21N3O3 — CID 91918286

IUPAC[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCCOC1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C13H21N3O3/c1-15-12(3-6-14-15)13(17)16-7-4-11(5-8-16)19-10-9-18-2/h3,6,11H,4-5,7-10H2,1-2H3
InChIKeyUGOWNHYNZYOPKU-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.69
Rot. Bonds5

About [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91918286) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91918286
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCCOC1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C13H21N3O3/c1-15-12(3-6-14-15)13(17)16-7-4-11(5-8-16)19-10-9-18-2/h3,6,11H,4-5,7-10H2,1-2H3
InChIKeyUGOWNHYNZYOPKU-UHFFFAOYSA-N
XLogP0.69
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2-aminoethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 82692044
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 118776796
[4-(1-bromoethyl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 106839312
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
[(4aR,7aS)-4-(2-methoxyethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-methylpyrazol-3-yl)methanone
CID 131687580
1-(2-methylpyrazole-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918339
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95750139
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91918286) is [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is COCCOC1CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is UGOWNHYNZYOPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-15-12(3-6-14-15)13(17)16-7-4-11(5-8-16)19-10-9-18-2/h3,6,11H,4-5,7-10H2,1-2H3.
What are the key properties of [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91918286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).