6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

C26H28N2O4 — CID 86886257

IUPAC6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESCC1(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCc2ccccc21
InChIInChI=1S/C26H28N2O4/c1-26(12-4-6-17-5-2-3-7-20(17)26)25(31)28-13-10-18(11-14-28)24(30)19-8-9-22-21(15-19)27-23(29)16-32-22/h2-3,5,7-9,15,18H,4,6,10-14,16H2,1H3,(H,27,29)
InChIKeyVJJPSHMLYKMMKR-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.73
Rot. Bonds3

About 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 86886257) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID86886257
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESCC1(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCc2ccccc21
InChIInChI=1S/C26H28N2O4/c1-26(12-4-6-17-5-2-3-7-20(17)26)25(31)28-13-10-18(11-14-28)24(30)19-8-9-22-21(15-19)27-23(29)16-32-22/h2-3,5,7-9,15,18H,4,6,10-14,16H2,1H3,(H,27,29)
InChIKeyVJJPSHMLYKMMKR-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51589221
1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
CID 124698143
6-[1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51598794
6-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960676
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
6-[1-[3-(furan-2-yl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960659
6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960684
6-[1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886035
N-[1-oxo-1-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]propan-2-yl]furan-2-carboxamide
CID 46953253
1-[2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 95800732
6-(2,2-dimethylcyclopentanecarbonyl)-4H-1,4-benzoxazin-3-one
CID 107176343

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (CID 86886257) is 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is CC1(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCc2ccccc21.
What is the InChIKey of 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is VJJPSHMLYKMMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-26(12-4-6-17-5-2-3-7-20(17)26)25(31)28-13-10-18(11-14-28)24(30)19-8-9-22-21(15-19)27-23(29)16-32-22/h2-3,5,7-9,15,18H,4,6,10-14,16H2,1H3,(H,27,29).
What are the key properties of 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 432.52 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 86886257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).