3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

C18H23N3O3S — CID 55824873

IUPAC3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)ccc1OCc1cscn1
InChIInChI=1S/C18H23N3O3S/c1-21-7-5-14(6-8-21)20-18(22)13-3-4-16(17(9-13)23-2)24-10-15-11-25-12-19-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,22)
InChIKeyVDVBJUKBUBSBAB-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.55
Rot. Bonds6

About 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55824873) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55824873
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1cc(C(=O)NC2CCN(C)CC2)ccc1OCc1cscn1
InChIInChI=1S/C18H23N3O3S/c1-21-7-5-14(6-8-21)20-18(22)13-3-4-16(17(9-13)23-2)24-10-15-11-25-12-19-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,22)
InChIKeyVDVBJUKBUBSBAB-UHFFFAOYSA-N
XLogP2.55
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 49073099
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119575867
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946649
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55824873) is 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is COc1cc(C(=O)NC2CCN(C)CC2)ccc1OCc1cscn1.
What is the InChIKey of 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is VDVBJUKBUBSBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21-7-5-14(6-8-21)20-18(22)13-3-4-16(17(9-13)23-2)24-10-15-11-25-12-19-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,20,22).
What are the key properties of 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55824873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).