3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide

C25H27N3O5S — CID 87417330

IUPAC3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCOc1cc(Oc2ccc(C(=O)N3CCC(O)CC3)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C25H27N3O5S/c1-2-12-32-21-14-18(23(30)27-25-26-9-13-34-25)15-22(16-21)33-20-5-3-17(4-6-20)24(31)28-10-7-19(29)8-11-28/h3-6,9,13-16,19,29H,2,7-8,10-12H2,1H3,(H,26,27,30)
InChIKeyCHKSXFJIVUSRNP-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.57
Rot. Bonds8

About 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide

3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 87417330) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID87417330
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCCCOc1cc(Oc2ccc(C(=O)N3CCC(O)CC3)cc2)cc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C25H27N3O5S/c1-2-12-32-21-14-18(23(30)27-25-26-9-13-34-25)15-22(16-21)33-20-5-3-17(4-6-20)24(31)28-10-7-19(29)8-11-28/h3-6,9,13-16,19,29H,2,7-8,10-12H2,1H3,(H,26,27,30)
InChIKeyCHKSXFJIVUSRNP-UHFFFAOYSA-N
XLogP4.57
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methoxypropan-2-yloxy)-5-[4-(4-methylpiperazine-1-carbonyl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 72992298
3-[4-[4-(2-nitrosoethyl)piperazine-1-carbonyl]phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 143092357
3-propoxy-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361447
3-[4-(4-methoxypiperidin-1-yl)sulfonylphenoxy]-5-(3-methylbut-2-enoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 70689789
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068
3-[4-(oxan-4-ylmethylcarbamoyl)phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 11363946
3-[4-(1-hydroxypropyl)phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 10431822
3-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 73426769
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346
3-[(2S)-1-methoxypropan-2-yl]oxy-5-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 73426874
3-(piperidin-4-ylmethoxy)-5-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 73426369
3-[4-[cyclopropylmethyl-[2-(dimethylamino)acetyl]amino]phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 88935414

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide (CID 87417330) is 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide is CCCOc1cc(Oc2ccc(C(=O)N3CCC(O)CC3)cc2)cc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is CHKSXFJIVUSRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-2-12-32-21-14-18(23(30)27-25-26-9-13-34-25)15-22(16-21)33-20-5-3-17(4-6-20)24(31)28-10-7-19(29)8-11-28/h3-6,9,13-16,19,29H,2,7-8,10-12H2,1H3,(H,26,27,30).
What are the key properties of 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide?
3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 481.57 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidine-1-carbonyl)phenoxy]-5-propoxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 87417330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).