1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone

C12H19N3O3 — CID 114669257

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
SMILESCOc1cnn(C)c1C(=O)COC1CCNCC1
InChIInChI=1S/C12H19N3O3/c1-15-12(11(17-2)7-14-15)10(16)8-18-9-3-5-13-6-4-9/h7,9,13H,3-6,8H2,1-2H3
InChIKeyZEWSKIIPUBTESH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.38
Rot. Bonds5

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone

1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone (PubChem CID 114669257) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
PubChem CID114669257
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
SMILESCOc1cnn(C)c1C(=O)COC1CCNCC1
InChIInChI=1S/C12H19N3O3/c1-15-12(11(17-2)7-14-15)10(16)8-18-9-3-5-13-6-4-9/h7,9,13H,3-6,8H2,1-2H3
InChIKeyZEWSKIIPUBTESH-UHFFFAOYSA-N
XLogP0.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
CID 114669849
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperazin-1-ylethanone
CID 114668690
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
CID 114669264
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
(4-methoxy-1-methylpyrazol-5-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114668702
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168
1-(1-methylpyrazol-4-yl)-3-piperidin-4-yloxypropan-2-one
CID 116571131
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone (CID 114669257) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone is COc1cnn(C)c1C(=O)COC1CCNCC1.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone?
The InChIKey is ZEWSKIIPUBTESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15-12(11(17-2)7-14-15)10(16)8-18-9-3-5-13-6-4-9/h7,9,13H,3-6,8H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone has a molecular weight of 253.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 114669257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).