N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

C21H28N4O4 — CID 24819466

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cc(C)n(C)n3)cc2)CC1
InChIInChI=1S/C21H28N4O4/c1-15-12-17(23-24(15)2)13-22-21(27)16-4-6-18(7-5-16)29-19-8-10-25(11-9-19)20(26)14-28-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,22,27)
InChIKeyPWZZHOGGJWGNGY-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.67
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (PubChem CID 24819466) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
PubChem CID24819466
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cc(C)n(C)n3)cc2)CC1
InChIInChI=1S/C21H28N4O4/c1-15-12-17(23-24(15)2)13-22-21(27)16-4-6-18(7-5-16)29-19-8-10-25(11-9-19)20(26)14-28-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,22,27)
InChIKeyPWZZHOGGJWGNGY-UHFFFAOYSA-N
XLogP1.67
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (CID 24819466) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3cc(C)n(C)n3)cc2)CC1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The InChIKey is PWZZHOGGJWGNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-15-12-17(23-24(15)2)13-22-21(27)16-4-6-18(7-5-16)29-19-8-10-25(11-9-19)20(26)14-28-3/h4-7,12,19H,8-11,13-14H2,1-3H3,(H,22,27).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24819466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).