2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride

C15H28ClN3O2S — CID 119490715

IUPAC2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)C2CSCN2C(=O)C(C)(C)C)C1.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-15(2,3)14(20)18-10-21-9-12(18)13(19)17-7-5-6-11(8-17)16-4;/h11-12,16H,5-10H2,1-4H3;1H
InChIKeyBSCBZXZYCUWQGK-UHFFFAOYSA-N
MW349.93 g/mol
LogP1.57
Rot. Bonds2

About 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride

2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride (PubChem CID 119490715) has the molecular formula C15H28ClN3O2S and a molecular weight of 349.93 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
PubChem CID119490715
Molecular FormulaC15H28ClN3O2S
Molecular Weight349.93 g/mol
Exact Mass349.16
IUPAC Name2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)C2CSCN2C(=O)C(C)(C)C)C1.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-15(2,3)14(20)18-10-21-9-12(18)13(19)17-7-5-6-11(8-17)16-4;/h11-12,16H,5-10H2,1-4H3;1H
InChIKeyBSCBZXZYCUWQGK-UHFFFAOYSA-N
XLogP1.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 119485277
(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119490463
(4R)-3-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143191
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
1-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 120803886
cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
CID 119396252
1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119487872
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
1-[4-(azepane-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 86776938
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride?
The IUPAC name of 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride (CID 119490715) is 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride is CNC1CCCN(C(=O)C2CSCN2C(=O)C(C)(C)C)C1.Cl.
What is the InChIKey of 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride?
The InChIKey is BSCBZXZYCUWQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S.ClH/c1-15(2,3)14(20)18-10-21-9-12(18)13(19)17-7-5-6-11(8-17)16-4;/h11-12,16H,5-10H2,1-4H3;1H.
What are the key properties of 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride?
2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride has a molecular weight of 349.93 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119490715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).