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4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride

C14H25Cl2N3O2S — CID 120641072

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCCc2csc(C)n2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H23N3O2S.2ClH/c1-11-17-12(9-20-11)3-6-16-13(18)14(10-19-2)4-7-15-8-5-14;;/h9,15H,3-8,10H2,1-2H3,(H,16,18);2*1H
InChIKeyAZDCOWNZGLUYNU-UHFFFAOYSA-N
MW370.35 g/mol
LogP1.97
Rot. Bonds6

About 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride

4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120641072) has the molecular formula C14H25Cl2N3O2S and a molecular weight of 370.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120641072
Molecular FormulaC14H25Cl2N3O2S
Molecular Weight370.35 g/mol
Exact Mass369.10
IUPAC Name4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCCc2csc(C)n2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H23N3O2S.2ClH/c1-11-17-12(9-20-11)3-6-16-13(18)14(10-19-2)4-7-15-8-5-14;;/h9,15H,3-8,10H2,1-2H3,(H,16,18);2*1H
InChIKeyAZDCOWNZGLUYNU-UHFFFAOYSA-N
XLogP1.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride (CID 120641072) is 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCCc2csc(C)n2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is AZDCOWNZGLUYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.2ClH/c1-11-17-12(9-20-11)3-6-16-13(18)14(10-19-2)4-7-15-8-5-14;;/h9,15H,3-8,10H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 370.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120641072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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