4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride

C13H27Cl2N3O2S — CID 119853651

IUPAC4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCCN2CCSCC2)CCNCC1.Cl.Cl
InChIInChI=1S/C13H25N3O2S.2ClH/c1-18-13(2-4-14-5-3-13)12(17)15-6-7-16-8-10-19-11-9-16;;/h14H,2-11H2,1H3,(H,15,17);2*1H
InChIKeyWMAMMDHKNNTVJX-UHFFFAOYSA-N
MW360.35 g/mol
LogP0.76
Rot. Bonds5

About 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 119853651) has the molecular formula C13H27Cl2N3O2S and a molecular weight of 360.35 g/mol. Its IUPAC name is 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID119853651
Molecular FormulaC13H27Cl2N3O2S
Molecular Weight360.35 g/mol
Exact Mass359.12
IUPAC Name4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCCN2CCSCC2)CCNCC1.Cl.Cl
InChIInChI=1S/C13H25N3O2S.2ClH/c1-18-13(2-4-14-5-3-13)12(17)15-6-7-16-8-10-19-11-9-16;;/h14H,2-11H2,1H3,(H,15,17);2*1H
InChIKeyWMAMMDHKNNTVJX-UHFFFAOYSA-N
XLogP0.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
CID 119885466
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119856169
4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119756569
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761918
4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119882002
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119876472
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119851284
N-[3-(ethylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide
CID 114284531
4-methoxy-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 119870105
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride (CID 119853651) is 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCCN2CCSCC2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is WMAMMDHKNNTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S.2ClH/c1-18-13(2-4-14-5-3-13)12(17)15-6-7-16-8-10-19-11-9-16;;/h14H,2-11H2,1H3,(H,15,17);2*1H.
What are the key properties of 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 360.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119853651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).