(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone

C15H20N2O2 — CID 82274959

IUPAC(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
SMILESCC1CN(C(=O)C2CCNCC2)c2ccccc2O1
InChIInChI=1S/C15H20N2O2/c1-11-10-17(13-4-2-3-5-14(13)19-11)15(18)12-6-8-16-9-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyYTSSCGDXXXUZAS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.80
Rot. Bonds1

About (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone

(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone (PubChem CID 82274959) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
PubChem CID82274959
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
SMILESCC1CN(C(=O)C2CCNCC2)c2ccccc2O1
InChIInChI=1S/C15H20N2O2/c1-11-10-17(13-4-2-3-5-14(13)19-11)15(18)12-6-8-16-9-7-12/h2-5,11-12,16H,6-10H2,1H3
InChIKeyYTSSCGDXXXUZAS-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone?
The IUPAC name of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone (CID 82274959) is (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone is CC1CN(C(=O)C2CCNCC2)c2ccccc2O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone?
The InChIKey is YTSSCGDXXXUZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-10-17(13-4-2-3-5-14(13)19-11)15(18)12-6-8-16-9-7-12/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone?
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82274959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).