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

C18H25Cl2N3O3S — CID 119444457

IUPAC3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)ccc1OCc1cscn1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-21(15-5-7-19-8-6-15)18(22)13-3-4-16(17(9-13)23-2)24-10-14-11-25-12-20-14;;/h3-4,9,11-12,15,19H,5-8,10H2,1-2H3;2*1H
InChIKeyBTUFHBLVLPZTDZ-UHFFFAOYSA-N
MW434.39 g/mol
LogP3.40
Rot. Bonds6

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

3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride (PubChem CID 119444457) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
PubChem CID119444457
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC Name3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)ccc1OCc1cscn1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-21(15-5-7-19-8-6-15)18(22)13-3-4-16(17(9-13)23-2)24-10-14-11-25-12-20-14;;/h3-4,9,11-12,15,19H,5-8,10H2,1-2H3;2*1H
InChIKeyBTUFHBLVLPZTDZ-UHFFFAOYSA-N
XLogP3.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-ethyl-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134043401
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
N-cyclopropyl-3-methoxy-N-[(4-methylphenyl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 32590507
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443929
3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119464467
1,4-diazepan-1-yl-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119418599
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946649
N-[3-(4-fluorophenoxy)propyl]-3-methoxy-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46443034
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride?
The IUPAC name of 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride (CID 119444457) is 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride.
What is the SMILES notation for 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride?
The canonical SMILES for 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride is COc1cc(C(=O)N(C)C2CCNCC2)ccc1OCc1cscn1.Cl.Cl.
What is the InChIKey of 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride?
The InChIKey is BTUFHBLVLPZTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.2ClH/c1-21(15-5-7-19-8-6-15)18(22)13-3-4-16(17(9-13)23-2)24-10-14-11-25-12-20-14;;/h3-4,9,11-12,15,19H,5-8,10H2,1-2H3;2*1H.
What are the key properties of 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride?
3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride has a molecular weight of 434.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride is sourced from PubChem (CID 119444457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).