4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one

C14H17N3O3 — CID 68535030

IUPAC4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one
SMILESCCC(=O)n1c(=O)oc2cccc(N3CCNCC3)c21
InChIInChI=1S/C14H17N3O3/c1-2-12(18)17-13-10(16-8-6-15-7-9-16)4-3-5-11(13)20-14(17)19/h3-5,15H,2,6-9H2,1H3
InChIKeyIGFUMLROFBLWFA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.05
Rot. Bonds2

About 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one

4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one (PubChem CID 68535030) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one
PubChem CID68535030
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one
SMILESCCC(=O)n1c(=O)oc2cccc(N3CCNCC3)c21
InChIInChI=1S/C14H17N3O3/c1-2-12(18)17-13-10(16-8-6-15-7-9-16)4-3-5-11(13)20-14(17)19/h3-5,15H,2,6-9H2,1H3
InChIKeyIGFUMLROFBLWFA-UHFFFAOYSA-N
XLogP1.05
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one?
The IUPAC name of 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one (CID 68535030) is 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one?
The canonical SMILES for 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one is CCC(=O)n1c(=O)oc2cccc(N3CCNCC3)c21.
What is the InChIKey of 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one?
The InChIKey is IGFUMLROFBLWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-12(18)17-13-10(16-8-6-15-7-9-16)4-3-5-11(13)20-14(17)19/h3-5,15H,2,6-9H2,1H3.
What are the key properties of 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one?
4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one has a molecular weight of 275.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-3-propanoyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 68535030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).