(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride

C10H19ClN2O2S — CID 119275333

IUPAC(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
SMILESCOC1CCN(C(=O)[C@H]2CSCN2)CC1.Cl
InChIInChI=1S/C10H18N2O2S.ClH/c1-14-8-2-4-12(5-3-8)10(13)9-6-15-7-11-9;/h8-9,11H,2-7H2,1H3;1H/t9-;/m1./s1
InChIKeyPHUUWCSMRDVCRS-SBSPUUFOSA-N
MW266.79 g/mol
LogP0.71
Rot. Bonds2

About (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride

(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride (PubChem CID 119275333) has the molecular formula C10H19ClN2O2S and a molecular weight of 266.79 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
PubChem CID119275333
Molecular FormulaC10H19ClN2O2S
Molecular Weight266.79 g/mol
Exact Mass266.09
IUPAC Name(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
SMILESCOC1CCN(C(=O)[C@H]2CSCN2)CC1.Cl
InChIInChI=1S/C10H18N2O2S.ClH/c1-14-8-2-4-12(5-3-8)10(13)9-6-15-7-11-9;/h8-9,11H,2-7H2,1H3;1H/t9-;/m1./s1
InChIKeyPHUUWCSMRDVCRS-SBSPUUFOSA-N
XLogP0.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopentyloxypiperidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119312931
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
[4-(cyclopentylmethoxy)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 91645145
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322524
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
2-methyl-1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297836
1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 110799962
N-propyl-1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxamide
CID 119278298
[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 63166761
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 54874273
1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 54916318

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride (CID 119275333) is (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride is COC1CCN(C(=O)[C@H]2CSCN2)CC1.Cl.
What is the InChIKey of (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The InChIKey is PHUUWCSMRDVCRS-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H18N2O2S.ClH/c1-14-8-2-4-12(5-3-8)10(13)9-6-15-7-11-9;/h8-9,11H,2-7H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride has a molecular weight of 266.79 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119275333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).