3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide

C22H24N4O4 — CID 24675990

IUPAC3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide
SMILESCC(C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C22H24N4O4/c1-14(26-18-7-3-4-8-19(18)30-22(26)29)21(28)24-16-13-15(20(23)27)9-10-17(16)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H2,23,27)(H,24,28)
InChIKeyHTJIAVAUSVPKML-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.88
Rot. Bonds5

About 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide

3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide (PubChem CID 24675990) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide
PubChem CID24675990
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide
SMILESCC(C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C22H24N4O4/c1-14(26-18-7-3-4-8-19(18)30-22(26)29)21(28)24-16-13-15(20(23)27)9-10-17(16)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H2,23,27)(H,24,28)
InChIKeyHTJIAVAUSVPKML-UHFFFAOYSA-N
XLogP2.88
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide (CID 24675990) is 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide is CC(C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1)n1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide?
The InChIKey is HTJIAVAUSVPKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14(26-18-7-3-4-8-19(18)30-22(26)29)21(28)24-16-13-15(20(23)27)9-10-17(16)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H2,23,27)(H,24,28).
What are the key properties of 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide?
3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide has a molecular weight of 408.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 24675990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).