N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C20H20N4O5S — CID 46953247

IUPACN-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cs1
InChIInChI=1S/C20H20N4O5S/c1-11(25)21-20-23-15(10-30-20)19(28)24-6-4-12(5-7-24)18(27)13-2-3-16-14(8-13)22-17(26)9-29-16/h2-3,8,10,12H,4-7,9H2,1H3,(H,22,26)(H,21,23,25)
InChIKeyHRJPKQYPGVZKLU-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.17
Rot. Bonds4

About N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 46953247) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID46953247
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC NameN-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cs1
InChIInChI=1S/C20H20N4O5S/c1-11(25)21-20-23-15(10-30-20)19(28)24-6-4-12(5-7-24)18(27)13-2-3-16-14(8-13)22-17(26)9-29-16/h2-3,8,10,12H,4-7,9H2,1H3,(H,22,26)(H,21,23,25)
InChIKeyHRJPKQYPGVZKLU-UHFFFAOYSA-N
XLogP2.17
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

6-[1-[3-(6-methyl-2-pyridinyl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960684
6-[1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960669
6-(piperidine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43120478
6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51589221
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-(oxane-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 55132753
6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110763765
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-[1-[3-(furan-2-yl)propanoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 46960659
6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886257

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 46953247) is N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cs1.
What is the InChIKey of N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HRJPKQYPGVZKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-11(25)21-20-23-15(10-30-20)19(28)24-6-4-12(5-7-24)18(27)13-2-3-16-14(8-13)22-17(26)9-29-16/h2-3,8,10,12H,4-7,9H2,1H3,(H,22,26)(H,21,23,25).
What are the key properties of N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46953247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).