6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

C19H22N2O5 — CID 51589221

IUPAC6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)C3CCN(C(=O)[C@H]4CCCO4)CC3)cc2N1
InChIInChI=1S/C19H22N2O5/c22-17-11-26-15-4-3-13(10-14(15)20-17)18(23)12-5-7-21(8-6-12)19(24)16-2-1-9-25-16/h3-4,10,12,16H,1-2,5-9,11H2,(H,20,22)/t16-/m1/s1
InChIKeyJOOZRCSPURTXHM-MRXNPFEDSA-N
MW358.39 g/mol
LogP1.62
Rot. Bonds3

About 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (PubChem CID 51589221) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
PubChem CID51589221
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)C3CCN(C(=O)[C@H]4CCCO4)CC3)cc2N1
InChIInChI=1S/C19H22N2O5/c22-17-11-26-15-4-3-13(10-14(15)20-17)18(23)12-5-7-21(8-6-12)19(24)16-2-1-9-25-16/h3-4,10,12,16H,1-2,5-9,11H2,(H,20,22)/t16-/m1/s1
InChIKeyJOOZRCSPURTXHM-MRXNPFEDSA-N
XLogP1.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(oxolane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43339532
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-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 110801255
6-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
7-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 110801192
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
1-[2-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 95800732
6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886257
6-(oxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 61273172
(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 110394194
N-(1,3-benzodioxol-5-ylmethyl)-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carboxamide
CID 51134933

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one (CID 51589221) is 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(C(=O)C3CCN(C(=O)[C@H]4CCCO4)CC3)cc2N1.
What is the InChIKey of 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is JOOZRCSPURTXHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-17-11-26-15-4-3-13(10-14(15)20-17)18(23)12-5-7-21(8-6-12)19(24)16-2-1-9-25-16/h3-4,10,12,16H,1-2,5-9,11H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one?
6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 358.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 51589221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).