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

C14H16N2O3 — CID 43120478

IUPAC6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)C3CCNCC3)cc2N1
InChIInChI=1S/C14H16N2O3/c17-13-8-19-12-2-1-10(7-11(12)16-13)14(18)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2,(H,16,17)
InChIKeyRTUHFYGVAFPFKQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.20
Rot. Bonds2

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

6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 43120478) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID43120478
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)C3CCNCC3)cc2N1
InChIInChI=1S/C14H16N2O3/c17-13-8-19-12-2-1-10(7-11(12)16-13)14(18)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2,(H,16,17)
InChIKeyRTUHFYGVAFPFKQ-UHFFFAOYSA-N
XLogP1.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
6-(oxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 61273172
7-(cyclopropanecarbonyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231376
6-(oxolane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43339532
6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51589221
2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 116918543
6-(2,4,5-trimethyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 65155065
6-(2,2-dimethylcyclopentanecarbonyl)-4H-1,4-benzoxazin-3-one
CID 107176343
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
1-[2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 95800732
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442

Frequently Asked Questions

What is the IUPAC name of 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one (CID 43120478) is 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(C(=O)C3CCNCC3)cc2N1.
What is the InChIKey of 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is RTUHFYGVAFPFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-8-19-12-2-1-10(7-11(12)16-13)14(18)9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2,(H,16,17).
What are the key properties of 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 260.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43120478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).