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

C14H21ClF3N3O2S — CID 120637591

IUPAC4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CCNCC1.Cl
InChIInChI=1S/C14H20F3N3O2S.ClH/c1-20(7-11-19-10(8-23-11)14(15,16)17)12(21)13(9-22-2)3-5-18-6-4-13;/h8,18H,3-7,9H2,1-2H3;1H
InChIKeyRVLRHRSGVCFFIY-UHFFFAOYSA-N
MW387.86 g/mol
LogP2.56
Rot. Bonds5

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

4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120637591) has the molecular formula C14H21ClF3N3O2S and a molecular weight of 387.86 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120637591
Molecular FormulaC14H21ClF3N3O2S
Molecular Weight387.86 g/mol
Exact Mass387.10
IUPAC Name4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CCNCC1.Cl
InChIInChI=1S/C14H20F3N3O2S.ClH/c1-20(7-11-19-10(8-23-11)14(15,16)17)12(21)13(9-22-2)3-5-18-6-4-13;/h8,18H,3-7,9H2,1-2H3;1H
InChIKeyRVLRHRSGVCFFIY-UHFFFAOYSA-N
XLogP2.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.86
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride (CID 120637591) is 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is RVLRHRSGVCFFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S.ClH/c1-20(7-11-19-10(8-23-11)14(15,16)17)12(21)13(9-22-2)3-5-18-6-4-13;/h8,18H,3-7,9H2,1-2H3;1H.
What are the key properties of 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 387.86 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).