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

C21H27N3O5 — CID 24790708

IUPAC4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide
SMILESCCc1cc(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)on1
InChIInChI=1S/C21H27N3O5/c1-4-16-12-18(29-23-16)13-22-21(26)15-5-6-19(20(11-15)27-3)28-17-7-9-24(10-8-17)14(2)25/h5-6,11-12,17H,4,7-10,13H2,1-3H3,(H,22,26)
InChIKeyWJMONCYVKNYAFI-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.57
Rot. Bonds7

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

4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide (PubChem CID 24790708) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide
PubChem CID24790708
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide
SMILESCCc1cc(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)on1
InChIInChI=1S/C21H27N3O5/c1-4-16-12-18(29-23-16)13-22-21(26)15-5-6-19(20(11-15)27-3)28-17-7-9-24(10-8-17)14(2)25/h5-6,11-12,17H,4,7-10,13H2,1-3H3,(H,22,26)
InChIKeyWJMONCYVKNYAFI-UHFFFAOYSA-N
XLogP2.57
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide (CID 24790708) is 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide is CCc1cc(CNC(=O)c2ccc(OC3CCN(C(C)=O)CC3)c(OC)c2)on1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide?
The InChIKey is WJMONCYVKNYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-4-16-12-18(29-23-16)13-22-21(26)15-5-6-19(20(11-15)27-3)28-17-7-9-24(10-8-17)14(2)25/h5-6,11-12,17H,4,7-10,13H2,1-3H3,(H,22,26).
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide?
4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide has a molecular weight of 401.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 24790708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).