cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

C17H29N3O2S — CID 119396252

IUPACcyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
SMILESCNCC1CCCN(C(=O)C2CSCN2C(=O)C2CCCC2)C1
InChIInChI=1S/C17H29N3O2S/c1-18-9-13-5-4-8-19(10-13)17(22)15-11-23-12-20(15)16(21)14-6-2-3-7-14/h13-15,18H,2-12H2,1H3
InChIKeyOCIZASXBGOJVQV-UHFFFAOYSA-N
MW339.51 g/mol
LogP1.54
Rot. Bonds4

About cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 119396252) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID119396252
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Namecyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
SMILESCNCC1CCCN(C(=O)C2CSCN2C(=O)C2CCCC2)C1
InChIInChI=1S/C17H29N3O2S/c1-18-9-13-5-4-8-19(10-13)17(22)15-11-23-12-20(15)16(21)14-6-2-3-7-14/h13-15,18H,2-12H2,1H3
InChIKeyOCIZASXBGOJVQV-UHFFFAOYSA-N
XLogP1.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
1-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
CID 119539246
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
[(4R)-4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl]-1,3-thiazolidin-3-yl]-cyclobutylmethanone
CID 124801732
cyclopentyl-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 71935072
[4-(4-aminopiperidine-1-carbonyl)-1,3-thiazolidin-3-yl]-cyclopentylmethanone;hydrochloride
CID 119374240
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
2-[4-[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119249033

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone (CID 119396252) is cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone is CNCC1CCCN(C(=O)C2CSCN2C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is OCIZASXBGOJVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-18-9-13-5-4-8-19(10-13)17(22)15-11-23-12-20(15)16(21)14-6-2-3-7-14/h13-15,18H,2-12H2,1H3.
What are the key properties of cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone?
cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 339.51 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 119396252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).