4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one

C19H20N2O2 — CID 22914652

IUPAC4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
SMILESO=C1OC(c2ccccc2)c2ccccc2N1C1CCNCC1
InChIInChI=1S/C19H20N2O2/c22-19-21(15-10-12-20-13-11-15)17-9-5-4-8-16(17)18(23-19)14-6-2-1-3-7-14/h1-9,15,18,20H,10-13H2
InChIKeyKFUIJWDAAHTFPW-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.48
Rot. Bonds2

About 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one

4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one (PubChem CID 22914652) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
PubChem CID22914652
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
SMILESO=C1OC(c2ccccc2)c2ccccc2N1C1CCNCC1
InChIInChI=1S/C19H20N2O2/c22-19-21(15-10-12-20-13-11-15)17-9-5-4-8-16(17)18(23-19)14-6-2-1-3-7-14/h1-9,15,18,20H,10-13H2
InChIKeyKFUIJWDAAHTFPW-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-phenyl-1-piperidin-4-yl-3,4-dihydroquinazolin-2-one
CID 19423615
(5S)-5-phenyl-3-piperidin-4-ylimidazolidine-2,4-dione
CID 94754129
3-amino-1-piperidin-4-yl-3H-indol-2-one
CID 174586562
1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
CID 10704740
5-piperidin-4-ylbenzo[b][1,4]benzoxazepin-6-one
CID 20517736
4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid
CID 141044413
5-methyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one;hydrochloride
CID 70097971
1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione
CID 90259431
4-piperidin-4-yl-1,4-benzoxazin-3-one;2,2,2-trifluoroacetic acid
CID 22380580
4-phenyl-3-piperidin-4-yl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 19423581
4-phenyl-3-piperidin-4-yl-1,4-dihydroquinazolin-2-one;hydrochloride
CID 67627664
10-piperidin-4-ylphenothiazine
CID 58293865

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The IUPAC name of 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one (CID 22914652) is 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one is O=C1OC(c2ccccc2)c2ccccc2N1C1CCNCC1.
What is the InChIKey of 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The InChIKey is KFUIJWDAAHTFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19-21(15-10-12-20-13-11-15)17-9-5-4-8-16(17)18(23-19)14-6-2-1-3-7-14/h1-9,15,18,20H,10-13H2.
What are the key properties of 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 22914652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).