[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone

C18H20ClN3O2 — CID 91889695

IUPAC[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2)N1CCCCC1
InChIInChI=1S/C18H20ClN3O2/c19-14-6-4-13(5-7-14)17-11-22-15(12-24-17)10-16(20-22)18(23)21-8-2-1-3-9-21/h4-7,10,17H,1-3,8-9,11-12H2
InChIKeyQFSVSPZLYTVZAD-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.43
Rot. Bonds2

About [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone

[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 91889695) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone
PubChem CID91889695
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2)N1CCCCC1
InChIInChI=1S/C18H20ClN3O2/c19-14-6-4-13(5-7-14)17-11-22-15(12-24-17)10-16(20-22)18(23)21-8-2-1-3-9-21/h4-7,10,17H,1-3,8-9,11-12H2
InChIKeyQFSVSPZLYTVZAD-UHFFFAOYSA-N
XLogP3.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone (CID 91889695) is [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone is O=C(c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2)N1CCCCC1.
What is the InChIKey of [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is QFSVSPZLYTVZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-14-6-4-13(5-7-14)17-11-22-15(12-24-17)10-16(20-22)18(23)21-8-2-1-3-9-21/h4-7,10,17H,1-3,8-9,11-12H2.
What are the key properties of [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone?
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 345.83 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91889695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).