3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one

C18H24N4O4S — CID 136521556

IUPAC3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H24N4O4S/c23-17(13-22-16-4-2-1-3-15(16)19-18(22)24)21-7-5-14(6-8-21)20-9-11-27(25,26)12-10-20/h1-4,14H,5-13H2,(H,19,24)
InChIKeyJFZQWPBLVHMGPL-UHFFFAOYSA-N
MW392.48 g/mol
LogP0.05
Rot. Bonds3

About 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one

3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one (PubChem CID 136521556) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
PubChem CID136521556
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
SMILESO=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H24N4O4S/c23-17(13-22-16-4-2-1-3-15(16)19-18(22)24)21-7-5-14(6-8-21)20-9-11-27(25,26)12-10-20/h1-4,14H,5-13H2,(H,19,24)
InChIKeyJFZQWPBLVHMGPL-UHFFFAOYSA-N
XLogP0.05
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 127494531
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119413160
4-hydroxy-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251084
3-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one
CID 70772986
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 113195210
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
5-methyl-1-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118829
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
4-[2-(azepan-1-yl)-2-oxoethyl]-1H-quinoxaline-2,3-dione
CID 113195604
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
3-[2-(1-oxa-9-azaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-benzimidazol-2-one
CID 72838610
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119469480

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one (CID 136521556) is 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one is O=C(Cn1c(=O)[nH]c2ccccc21)N1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
The InChIKey is JFZQWPBLVHMGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c23-17(13-22-16-4-2-1-3-15(16)19-18(22)24)21-7-5-14(6-8-21)20-9-11-27(25,26)12-10-20/h1-4,14H,5-13H2,(H,19,24).
What are the key properties of 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one?
3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one has a molecular weight of 392.48 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 136521556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).