3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one

C23H25N3O2 — CID 135517369

IUPAC3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one
SMILESO=C1Cc2c(ccc3c(CCC4CCN(Cc5ccccc5)CC4)noc23)N1
InChIInChI=1S/C23H25N3O2/c27-22-14-19-20(24-22)9-7-18-21(25-28-23(18)19)8-6-16-10-12-26(13-11-16)15-17-4-2-1-3-5-17/h1-5,7,9,16H,6,8,10-15H2,(H,24,27)
InChIKeyOICRNZHKHYSUOP-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.17
Rot. Bonds5

About 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one

3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one (PubChem CID 135517369) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one.

Molecular Properties

Compound Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one
PubChem CID135517369
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one
SMILESO=C1Cc2c(ccc3c(CCC4CCN(Cc5ccccc5)CC4)noc23)N1
InChIInChI=1S/C23H25N3O2/c27-22-14-19-20(24-22)9-7-18-21(25-28-23(18)19)8-6-16-10-12-26(13-11-16)15-17-4-2-1-3-5-17/h1-5,7,9,16H,6,8,10-15H2,(H,24,27)
InChIKeyOICRNZHKHYSUOP-UHFFFAOYSA-N
XLogP4.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one?
The IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one (CID 135517369) is 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one.
What is the SMILES notation for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one?
The canonical SMILES for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one is O=C1Cc2c(ccc3c(CCC4CCN(Cc5ccccc5)CC4)noc23)N1.
What is the InChIKey of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one?
The InChIKey is OICRNZHKHYSUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-14-19-20(24-22)9-7-18-21(25-28-23(18)19)8-6-16-10-12-26(13-11-16)15-17-4-2-1-3-5-17/h1-5,7,9,16H,6,8,10-15H2,(H,24,27).
What are the key properties of 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one?
3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one has a molecular weight of 375.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylpiperidin-4-yl)ethyl]-6,8-dihydropyrrolo[2,3-g][1,2]benzoxazol-7-one is sourced from PubChem (CID 135517369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).