[2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C14H23N3O2 — CID 45238158

IUPAC[2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCOCC1CCCCN1C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-13(11(2)16(3)15-10)14(18)17-8-6-5-7-12(17)9-19-4/h12H,5-9H2,1-4H3
InChIKeyKBJPCEGBURGAAF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.68
Rot. Bonds3

About [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 45238158) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID45238158
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCOCC1CCCCN1C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-13(11(2)16(3)15-10)14(18)17-8-6-5-7-12(17)9-19-4/h12H,5-9H2,1-4H3
InChIKeyKBJPCEGBURGAAF-UHFFFAOYSA-N
XLogP1.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 45238158) is [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is COCC1CCCCN1C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is KBJPCEGBURGAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-13(11(2)16(3)15-10)14(18)17-8-6-5-7-12(17)9-19-4/h12H,5-9H2,1-4H3.
What are the key properties of [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 45238158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).