1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one

C23H24N2O4 — CID 24819372

IUPAC1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1
InChIInChI=1S/C23H24N2O4/c1-3-20(26)17-7-5-11-25(14-17)23(27)16-9-10-19-21(13-16)29-22(24-19)15-6-4-8-18(12-15)28-2/h4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3
InChIKeyZIIHZMRWASNLRA-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.33
Rot. Bonds5

About 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one

1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one (PubChem CID 24819372) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one
PubChem CID24819372
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1
InChIInChI=1S/C23H24N2O4/c1-3-20(26)17-7-5-11-25(14-17)23(27)16-9-10-19-21(13-16)29-22(24-19)15-6-4-8-18(12-15)28-2/h4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3
InChIKeyZIIHZMRWASNLRA-UHFFFAOYSA-N
XLogP4.33
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one?
The IUPAC name of 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one (CID 24819372) is 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one is CCC(=O)C1CCCN(C(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1.
What is the InChIKey of 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one?
The InChIKey is ZIIHZMRWASNLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-20(26)17-7-5-11-25(14-17)23(27)16-9-10-19-21(13-16)29-22(24-19)15-6-4-8-18(12-15)28-2/h4,6,8-10,12-13,17H,3,5,7,11,14H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one?
1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one has a molecular weight of 392.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxyphenyl)-1,3-benzoxazole-6-carbonyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 24819372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).