6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one

C13H15ClN2O3 — CID 59564042

IUPAC6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NCOc2cc(OC3CCNCC3)c(Cl)cc21
InChIInChI=1S/C13H15ClN2O3/c14-10-5-9-11(18-7-16-13(9)17)6-12(10)19-8-1-3-15-4-2-8/h5-6,8,15H,1-4,7H2,(H,16,17)
InChIKeyLRVNVGSYZSXMRR-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.55
Rot. Bonds2

About 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one

6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one (PubChem CID 59564042) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one
PubChem CID59564042
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one
SMILESO=C1NCOc2cc(OC3CCNCC3)c(Cl)cc21
InChIInChI=1S/C13H15ClN2O3/c14-10-5-9-11(18-7-16-13(9)17)6-12(10)19-8-1-3-15-4-2-8/h5-6,8,15H,1-4,7H2,(H,16,17)
InChIKeyLRVNVGSYZSXMRR-UHFFFAOYSA-N
XLogP1.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one?
The IUPAC name of 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one (CID 59564042) is 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one?
The canonical SMILES for 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one is O=C1NCOc2cc(OC3CCNCC3)c(Cl)cc21.
What is the InChIKey of 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one?
The InChIKey is LRVNVGSYZSXMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-5-9-11(18-7-16-13(9)17)6-12(10)19-8-1-3-15-4-2-8/h5-6,8,15H,1-4,7H2,(H,16,17).
What are the key properties of 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one?
6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one has a molecular weight of 282.73 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-piperidin-4-yloxy-2,3-dihydro-1,3-benzoxazin-4-one is sourced from PubChem (CID 59564042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).