(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C19H28N2O3S — CID 136514257

IUPAC(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCN(Cc3ccccc3)C2)CCS1(=O)=O
InChIInChI=1S/C19H28N2O3S/c1-19(2)15-21(11-12-25(19,23)24)18(22)17-9-6-10-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3
InChIKeyZIWBNADIOQIEMH-UHFFFAOYSA-N
MW364.51 g/mol
LogP1.93
Rot. Bonds3

About (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 136514257) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID136514257
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2CCCN(Cc3ccccc3)C2)CCS1(=O)=O
InChIInChI=1S/C19H28N2O3S/c1-19(2)15-21(11-12-25(19,23)24)18(22)17-9-6-10-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3
InChIKeyZIWBNADIOQIEMH-UHFFFAOYSA-N
XLogP1.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
(4-benzylpiperidin-1-yl)-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methanone
CID 3482407

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 136514257) is (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC1(C)CN(C(=O)C2CCCN(Cc3ccccc3)C2)CCS1(=O)=O.
What is the InChIKey of (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is ZIWBNADIOQIEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-19(2)15-21(11-12-25(19,23)24)18(22)17-9-6-10-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3.
What are the key properties of (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 364.51 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-3-yl)-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 136514257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).