[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

C20H27N3O3S — CID 47005349

IUPAC[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C20H27N3O3S/c1-2-16-7-5-6-12-23(16)20(24)15-10-13-22(14-11-15)19-17-8-3-4-9-18(17)27(25,26)21-19/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3
InChIKeyFEVIPFYKVCFFBV-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.64
Rot. Bonds2

About [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone

[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 47005349) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID47005349
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C20H27N3O3S/c1-2-16-7-5-6-12-23(16)20(24)15-10-13-22(14-11-15)19-17-8-3-4-9-18(17)27(25,26)21-19/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3
InChIKeyFEVIPFYKVCFFBV-UHFFFAOYSA-N
XLogP2.64
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]methanone
CID 31946304
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)azepan-2-yl]methanol
CID 116637004
N-(4-anilinophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 55457032
2-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carbonyl]-methylamino]propanoic acid
CID 119208840
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate
CID 7428974
N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
CID 26574894
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate
CID 42447697
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 7131081
[1-(2-chlorobenzoyl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 17223347
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
CID 26011709
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454171

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone (CID 47005349) is [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is FEVIPFYKVCFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-2-16-7-5-6-12-23(16)20(24)15-10-13-22(14-11-15)19-17-8-3-4-9-18(17)27(25,26)21-19/h3-4,8-9,15-16H,2,5-7,10-14H2,1H3.
What are the key properties of [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone?
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 389.52 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 47005349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).