3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide

C22H30N4O4 — CID 24790560

IUPAC3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2nc(C)cc2C)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C22H30N4O4/c1-15-13-16(2)26(24-15)12-9-23-22(28)18-5-6-20(29-4)21(14-18)30-19-7-10-25(11-8-19)17(3)27/h5-6,13-14,19H,7-12H2,1-4H3,(H,23,28)
InChIKeyIRAKXUIOSBZEPL-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.33
Rot. Bonds7

About 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide

3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide (PubChem CID 24790560) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide
PubChem CID24790560
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2nc(C)cc2C)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C22H30N4O4/c1-15-13-16(2)26(24-15)12-9-23-22(28)18-5-6-20(29-4)21(14-18)30-19-7-10-25(11-8-19)17(3)27/h5-6,13-14,19H,7-12H2,1-4H3,(H,23,28)
InChIKeyIRAKXUIOSBZEPL-UHFFFAOYSA-N
XLogP2.33
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide (CID 24790560) is 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCn2nc(C)cc2C)cc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide?
The InChIKey is IRAKXUIOSBZEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-15-13-16(2)26(24-15)12-9-23-22(28)18-5-6-20(29-4)21(14-18)30-19-7-10-25(11-8-19)17(3)27/h5-6,13-14,19H,7-12H2,1-4H3,(H,23,28).
What are the key properties of 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide?
3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide has a molecular weight of 414.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)oxy-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 24790560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).