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

C19H25N3O3S — CID 120891916

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOCC1(CNC(=O)c2ccccc2OCc2cscn2)CCNCC1
InChIInChI=1S/C19H25N3O3S/c1-24-13-19(6-8-20-9-7-19)12-21-18(23)16-4-2-3-5-17(16)25-10-15-11-26-14-22-15/h2-5,11,14,20H,6-10,12-13H2,1H3,(H,21,23)
InChIKeyKOGLERZVRAFVIE-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.47
Rot. Bonds8

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

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 120891916) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID120891916
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOCC1(CNC(=O)c2ccccc2OCc2cscn2)CCNCC1
InChIInChI=1S/C19H25N3O3S/c1-24-13-19(6-8-20-9-7-19)12-21-18(23)16-4-2-3-5-17(16)25-10-15-11-26-14-22-15/h2-5,11,14,20H,6-10,12-13H2,1H3,(H,21,23)
InChIKeyKOGLERZVRAFVIE-UHFFFAOYSA-N
XLogP2.47
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 120891792
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86981514
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888755
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 120891916) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is COCC1(CNC(=O)c2ccccc2OCc2cscn2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is KOGLERZVRAFVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-24-13-19(6-8-20-9-7-19)12-21-18(23)16-4-2-3-5-17(16)25-10-15-11-26-14-22-15/h2-5,11,14,20H,6-10,12-13H2,1H3,(H,21,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.47, 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]-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 120891916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).