1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C14H23N3O2 — CID 164626097

IUPAC1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCOC[C@H]1CCCCN1C(=O)CCc1ccnn1C
InChIInChI=1S/C14H23N3O2/c1-16-12(8-9-15-16)6-7-14(18)17-10-4-3-5-13(17)11-19-2/h8-9,13H,3-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyJBVGRKWUJHTAIM-CYBMUJFWSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds5

About 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 164626097) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID164626097
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCOC[C@H]1CCCCN1C(=O)CCc1ccnn1C
InChIInChI=1S/C14H23N3O2/c1-16-12(8-9-15-16)6-7-14(18)17-10-4-3-5-13(17)11-19-2/h8-9,13H,3-7,10-11H2,1-2H3/t13-/m1/s1
InChIKeyJBVGRKWUJHTAIM-CYBMUJFWSA-N
XLogP1.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 164626097) is 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is COC[C@H]1CCCCN1C(=O)CCc1ccnn1C.
What is the InChIKey of 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is JBVGRKWUJHTAIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-12(8-9-15-16)6-7-14(18)17-10-4-3-5-13(17)11-19-2/h8-9,13H,3-7,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 265.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 164626097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).