6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one

C14H17N3O3 — CID 59474101

IUPAC6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(CCN1CCNCC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H17N3O3/c18-12(3-6-17-7-4-15-5-8-17)10-1-2-11-13(9-10)20-14(19)16-11/h1-2,9,15H,3-8H2,(H,16,19)
InChIKeyJSBBLOGNDYVWIC-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.60
Rot. Bonds4

About 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one

6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one (PubChem CID 59474101) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one
PubChem CID59474101
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(CCN1CCNCC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H17N3O3/c18-12(3-6-17-7-4-15-5-8-17)10-1-2-11-13(9-10)20-14(19)16-11/h1-2,9,15H,3-8H2,(H,16,19)
InChIKeyJSBBLOGNDYVWIC-UHFFFAOYSA-N
XLogP0.60
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one (CID 59474101) is 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one is O=C(CCN1CCNCC1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is JSBBLOGNDYVWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-12(3-6-17-7-4-15-5-8-17)10-1-2-11-13(9-10)20-14(19)16-11/h1-2,9,15H,3-8H2,(H,16,19).
What are the key properties of 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one?
6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 59474101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).