methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate

C18H24N2O5S — CID 7685654

IUPACmethyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1
InChIInChI=1S/C18H24N2O5S/c1-25-18(22)15-8-11-19(12-9-15)17(21)14-4-6-16(7-5-14)20-10-2-3-13-26(20,23)24/h4-7,15H,2-3,8-13H2,1H3
InChIKeyZHEZBXXFCRIBMM-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.64
Rot. Bonds3

About methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate

methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate (PubChem CID 7685654) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate
PubChem CID7685654
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Namemethyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1
InChIInChI=1S/C18H24N2O5S/c1-25-18(22)15-8-11-19(12-9-15)17(21)14-4-6-16(7-5-14)20-10-2-3-13-26(20,23)24/h4-7,15H,2-3,8-13H2,1H3
InChIKeyZHEZBXXFCRIBMM-UHFFFAOYSA-N
XLogP1.64
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carbonitrile
CID 110312572
ethyl (3R)-1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-3-carboxylate
CID 7685705
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655289
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 18105399
methyl 1-[4-(bromomethyl)benzoyl]piperidine-4-carboxylate
CID 102850825
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
methyl 1-[4-(5-methylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate
CID 47010037
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
CID 7686132
methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
CID 63973141
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]piperidine-4-carboxylic acid
CID 119349201
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate (CID 7685654) is methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1.
What is the InChIKey of methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate?
The InChIKey is ZHEZBXXFCRIBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-25-18(22)15-8-11-19(12-9-15)17(21)14-4-6-16(7-5-14)20-10-2-3-13-26(20,23)24/h4-7,15H,2-3,8-13H2,1H3.
What are the key properties of methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate?
methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate has a molecular weight of 380.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 7685654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).