1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide

C16H26N4O4 — CID 118775675

IUPAC1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@H]2O)c1C
InChIInChI=1S/C16H26N4O4/c1-5-20-11(3)15(10(2)18-20)16(23)17-12-6-7-19(8-13(12)21)14(22)9-24-4/h12-13,21H,5-9H2,1-4H3,(H,17,23)/t12-,13-/m1/s1
InChIKeyVCRAAFAPEICJSL-CHWSQXEVSA-N
MW338.41 g/mol
LogP-0.14
Rot. Bonds5

About 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide

1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 118775675) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID118775675
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@H]2O)c1C
InChIInChI=1S/C16H26N4O4/c1-5-20-11(3)15(10(2)18-20)16(23)17-12-6-7-19(8-13(12)21)14(22)9-24-4/h12-13,21H,5-9H2,1-4H3,(H,17,23)/t12-,13-/m1/s1
InChIKeyVCRAAFAPEICJSL-CHWSQXEVSA-N
XLogP-0.14
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide (CID 118775675) is 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)COC)C[C@H]2O)c1C.
What is the InChIKey of 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VCRAAFAPEICJSL-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-5-20-11(3)15(10(2)18-20)16(23)17-12-6-7-19(8-13(12)21)14(22)9-24-4/h12-13,21H,5-9H2,1-4H3,(H,17,23)/t12-,13-/m1/s1.
What are the key properties of 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide?
1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3R,4R)-3-hydroxy-1-(2-methoxyacetyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 118775675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).