6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one

C14H14N2O4 — CID 96669404

IUPAC6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C14H14N2O4/c17-10-3-5-16(6-4-10)14(19)9-1-2-12-11(7-9)15-13(18)8-20-12/h1-2,7H,3-6,8H2,(H,15,18)
InChIKeyTWYXTPSSAIEOPI-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.82
Rot. Bonds1

About 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one

6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 96669404) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID96669404
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1
InChIInChI=1S/C14H14N2O4/c17-10-3-5-16(6-4-10)14(19)9-1-2-12-11(7-9)15-13(18)8-20-12/h1-2,7H,3-6,8H2,(H,15,18)
InChIKeyTWYXTPSSAIEOPI-UHFFFAOYSA-N
XLogP0.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110763765
2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 75433522
6-(4-propanoyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110805801
6-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 110806276
methyl 4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808781
6-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 110801782
6-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 103726952
6-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110809923
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 55442082
6-[4-[(3,5-difluorophenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138709360
6-[4-[[4-(2-fluoroethoxy)phenyl]-(4-fluorophenyl)methylidene]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 155387229
6-[4-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 150432761

Frequently Asked Questions

What is the IUPAC name of 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one (CID 96669404) is 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one is O=C1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1.
What is the InChIKey of 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is TWYXTPSSAIEOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-10-3-5-16(6-4-10)14(19)9-1-2-12-11(7-9)15-13(18)8-20-12/h1-2,7H,3-6,8H2,(H,15,18).
What are the key properties of 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one?
6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 274.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxopiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 96669404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).