(4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone

C19H23N3O2 — CID 71789425

IUPAC(4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c23-18(17-14-20-22-9-4-12-24-19(17)22)21-10-7-16(8-11-21)13-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2
InChIKeyJKKCQOZJHUKYJO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.76
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone

(4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone (PubChem CID 71789425) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
PubChem CID71789425
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
SMILESO=C(c1cnn2c1OCCC2)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c23-18(17-14-20-22-9-4-12-24-19(17)22)21-10-7-16(8-11-21)13-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2
InChIKeyJKKCQOZJHUKYJO-UHFFFAOYSA-N
XLogP2.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone (CID 71789425) is (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone is O=C(c1cnn2c1OCCC2)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
The InChIKey is JKKCQOZJHUKYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18(17-14-20-22-9-4-12-24-19(17)22)21-10-7-16(8-11-21)13-15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone is sourced from PubChem (CID 71789425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).