2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one

C21H24N2O2 — CID 66716724

IUPAC2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CN3CCC(c4ccccc4)CC3)cc2NC1=O
InChIInChI=1S/C21H24N2O2/c1-15-21(24)22-19-13-16(7-8-20(19)25-15)14-23-11-9-18(10-12-23)17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,22,24)
InChIKeyPFEWYNQWEUWTKM-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.79
Rot. Bonds3

About 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one

2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 66716724) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one
PubChem CID66716724
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CN3CCC(c4ccccc4)CC3)cc2NC1=O
InChIInChI=1S/C21H24N2O2/c1-15-21(24)22-19-13-16(7-8-20(19)25-15)14-23-11-9-18(10-12-23)17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,22,24)
InChIKeyPFEWYNQWEUWTKM-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one (CID 66716724) is 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(CN3CCC(c4ccccc4)CC3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is PFEWYNQWEUWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-21(24)22-19-13-16(7-8-20(19)25-15)14-23-11-9-18(10-12-23)17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,22,24).
What are the key properties of 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one?
2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 336.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4-phenylpiperidin-1-yl)methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66716724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).