3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide

C20H27N3O2S — CID 119825259

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(OCc2csc(C)n2)c1)C1CCNCC1
InChIInChI=1S/C20H27N3O2S/c1-3-11-23(18-7-9-21-10-8-18)20(24)16-5-4-6-19(12-16)25-13-17-14-26-15(2)22-17/h4-6,12,14,18,21H,3,7-11,13H2,1-2H3
InChIKeyVWMKTVFORDKRAA-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.63
Rot. Bonds7

About 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119825259) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119825259
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(OCc2csc(C)n2)c1)C1CCNCC1
InChIInChI=1S/C20H27N3O2S/c1-3-11-23(18-7-9-21-10-8-18)20(24)16-5-4-6-19(12-16)25-13-17-14-26-15(2)22-17/h4-6,12,14,18,21H,3,7-11,13H2,1-2H3
InChIKeyVWMKTVFORDKRAA-UHFFFAOYSA-N
XLogP3.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119553161
3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825677
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119824790
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55689158
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 120887377
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55693772
4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 119825107

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide (CID 119825259) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1cccc(OCc2csc(C)n2)c1)C1CCNCC1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is VWMKTVFORDKRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-11-23(18-7-9-21-10-8-18)20(24)16-5-4-6-19(12-16)25-13-17-14-26-15(2)22-17/h4-6,12,14,18,21H,3,7-11,13H2,1-2H3.
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide?
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 373.52 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119825259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).