3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one

C18H22N4O4 — CID 3364678

IUPAC3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N(C2CCN(C(=O)c3ccc4nonc4c3)CC2)C1
InChIInChI=1S/C18H22N4O4/c1-18(2)10-22(17(24)25-11-18)13-5-7-21(8-6-13)16(23)12-3-4-14-15(9-12)20-26-19-14/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyTTZGCUIMRYYXHP-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.31
Rot. Bonds2

About 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one

3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 3364678) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID3364678
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N(C2CCN(C(=O)c3ccc4nonc4c3)CC2)C1
InChIInChI=1S/C18H22N4O4/c1-18(2)10-22(17(24)25-11-18)13-5-7-21(8-6-13)16(23)12-3-4-14-15(9-12)20-26-19-14/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyTTZGCUIMRYYXHP-UHFFFAOYSA-N
XLogP2.31
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one with MolForge

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Related Compounds

3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 3788247
2,1,3-benzoxadiazol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 56908568
3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 3864755
[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70755584
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710657
2,1,3-benzoxadiazol-5-yl-[4-[3-(dimethylamino)propoxy]piperidin-1-yl]methanone
CID 122134713
3-[1-(4-methylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710655
5,5-dimethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3857124
4-(5,5-dimethyl-2-oxo-1,3-oxazinan-3-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 3675449
2,1,3-benzoxadiazol-5-yl-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
CID 3866208
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710659
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one (CID 3364678) is 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one is CC1(C)COC(=O)N(C2CCN(C(=O)c3ccc4nonc4c3)CC2)C1.
What is the InChIKey of 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is TTZGCUIMRYYXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-18(2)10-22(17(24)25-11-18)13-5-7-21(8-6-13)16(23)12-3-4-14-15(9-12)20-26-19-14/h3-4,9,13H,5-8,10-11H2,1-2H3.
What are the key properties of 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 358.40 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 3364678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).