3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride

C18H25Cl2N3O3S — CID 119464467

IUPAC3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
SMILESCOc1cc(C(=O)NCC2CCCNC2)ccc1OCc1cscn1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-23-17-7-14(18(22)20-9-13-3-2-6-19-8-13)4-5-16(17)24-10-15-11-25-12-21-15;;/h4-5,7,11-13,19H,2-3,6,8-10H2,1H3,(H,20,22);2*1H
InChIKeyXQGDIJQQYMNUNN-UHFFFAOYSA-N
MW434.39 g/mol
LogP3.30
Rot. Bonds7

About 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride

3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride (PubChem CID 119464467) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
PubChem CID119464467
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC Name3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
SMILESCOc1cc(C(=O)NCC2CCCNC2)ccc1OCc1cscn1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-23-17-7-14(18(22)20-9-13-3-2-6-19-8-13)4-5-16(17)24-10-15-11-25-12-21-15;;/h4-5,7,11-13,19H,2-3,6,8-10H2,1H3,(H,20,22);2*1H
InChIKeyXQGDIJQQYMNUNN-UHFFFAOYSA-N
XLogP3.30
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946649
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463531
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144
3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46402452
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 119462339
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119575867
1,4-diazepan-1-yl-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119418599

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride?
The IUPAC name of 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride (CID 119464467) is 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride.
What is the SMILES notation for 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride?
The canonical SMILES for 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride is COc1cc(C(=O)NCC2CCCNC2)ccc1OCc1cscn1.Cl.Cl.
What is the InChIKey of 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride?
The InChIKey is XQGDIJQQYMNUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.2ClH/c1-23-17-7-14(18(22)20-9-13-3-2-6-19-8-13)4-5-16(17)24-10-15-11-25-12-21-15;;/h4-5,7,11-13,19H,2-3,6,8-10H2,1H3,(H,20,22);2*1H.
What are the key properties of 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride?
3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride has a molecular weight of 434.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride is sourced from PubChem (CID 119464467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).