N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride

C20H29Cl2N3O3S — CID 120887377

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccc(OCc3csc(C)n3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H27N3O3S.2ClH/c1-15-23-17(12-27-15)11-26-18-5-3-4-16(10-18)19(24)22-13-20(14-25-2)6-8-21-9-7-20;;/h3-5,10,12,21H,6-9,11,13-14H2,1-2H3,(H,22,24);2*1H
InChIKeyRYGCDZMGHFKQLQ-UHFFFAOYSA-N
MW462.44 g/mol
LogP3.62
Rot. Bonds8

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride (PubChem CID 120887377) has the molecular formula C20H29Cl2N3O3S and a molecular weight of 462.44 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
PubChem CID120887377
Molecular FormulaC20H29Cl2N3O3S
Molecular Weight462.44 g/mol
Exact Mass461.13
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccc(OCc3csc(C)n3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H27N3O3S.2ClH/c1-15-23-17(12-27-15)11-26-18-5-3-4-16(10-18)19(24)22-13-20(14-25-2)6-8-21-9-7-20;;/h3-5,10,12,21H,6-9,11,13-14H2,1-2H3,(H,22,24);2*1H
InChIKeyRYGCDZMGHFKQLQ-UHFFFAOYSA-N
XLogP3.62
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 51265482
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
CID 55445874
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825259
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119458129

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride (CID 120887377) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride is COCC1(CNC(=O)c2cccc(OCc3csc(C)n3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?
The InChIKey is RYGCDZMGHFKQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.2ClH/c1-15-23-17(12-27-15)11-26-18-5-3-4-16(10-18)19(24)22-13-20(14-25-2)6-8-21-9-7-20;;/h3-5,10,12,21H,6-9,11,13-14H2,1-2H3,(H,22,24);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride has a molecular weight of 462.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride is sourced from PubChem (CID 120887377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).