N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C87H109N15O10S5 — CID 159990485

IUPACN-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3ccc(O)cc3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(c3cccc(O)c3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(c3ccccc3O)CC2)s1.COc1cccc(C2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1.COc1ccccc1C1CCN(Cc2cnc(NC(C)=O)s2)CC1
InChIInChI=1S/2C18H23N3O2S.3C17H21N3O2S/c1-13(22)20-18-19-11-17(24-18)12-21-8-6-14(7-9-21)15-4-3-5-16(10-15)23-2;1-13(22)20-18-19-11-15(24-18)12-21-9-7-14(8-10-21)16-5-3-4-6-17(16)23-2;1-12(21)19-17-18-10-16(23-17)11-20-8-6-14(7-9-20)13-2-4-15(22)5-3-13;1-12(21)19-17-18-10-16(23-17)11-20-7-5-13(6-8-20)14-3-2-4-15(22)9-14;1-12(21)19-17-18-10-14(23-17)11-20-8-6-13(7-9-20)15-4-2-3-5-16(15)22/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,19,20,22);3-6,11,14H,7-10,12H2,1-2H3,(H,19,20,22);2-5,10,14,22H,6-9,11H2,1H3,(H,18,19,21);2-4,9-10,13,22H,5-8,11H2,1H3,(H,18,19,21);2-5,10,13,22H,6-9,11H2,1H3,(H,18,19,21)
InChIKeyOGWRONBAKZHKFW-UHFFFAOYSA-N
MW1685.26 g/mol
LogP16.54
Rot. Bonds22

About N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 159990485) has the molecular formula C87H109N15O10S5 and a molecular weight of 1685.26 g/mol. Its IUPAC name is N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID159990485
Molecular FormulaC87H109N15O10S5
Molecular Weight1685.26 g/mol
Exact Mass1683.71
IUPAC NameN-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3ccc(O)cc3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(c3cccc(O)c3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(c3ccccc3O)CC2)s1.COc1cccc(C2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1.COc1ccccc1C1CCN(Cc2cnc(NC(C)=O)s2)CC1
InChIInChI=1S/2C18H23N3O2S.3C17H21N3O2S/c1-13(22)20-18-19-11-17(24-18)12-21-8-6-14(7-9-21)15-4-3-5-16(10-15)23-2;1-13(22)20-18-19-11-15(24-18)12-21-9-7-14(8-10-21)16-5-3-4-6-17(16)23-2;1-12(21)19-17-18-10-16(23-17)11-20-8-6-14(7-9-20)13-2-4-15(22)5-3-13;1-12(21)19-17-18-10-16(23-17)11-20-7-5-13(6-8-20)14-3-2-4-15(22)9-14;1-12(21)19-17-18-10-14(23-17)11-20-8-6-13(7-9-20)15-4-2-3-5-16(15)22/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,19,20,22);3-6,11,14H,7-10,12H2,1-2H3,(H,19,20,22);2-5,10,14,22H,6-9,11H2,1H3,(H,18,19,21);2-4,9-10,13,22H,5-8,11H2,1H3,(H,18,19,21);2-5,10,13,22H,6-9,11H2,1H3,(H,18,19,21)
InChIKeyOGWRONBAKZHKFW-UHFFFAOYSA-N
XLogP16.54
TPSA305.30 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001685.26
LogP ≤ 516.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 159990485) is N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(c3ccc(O)cc3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(c3cccc(O)c3)CC2)s1.CC(=O)Nc1ncc(CN2CCC(c3ccccc3O)CC2)s1.COc1cccc(C2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1.COc1ccccc1C1CCN(Cc2cnc(NC(C)=O)s2)CC1.
What is the InChIKey of N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OGWRONBAKZHKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23N3O2S.3C17H21N3O2S/c1-13(22)20-18-19-11-17(24-18)12-21-8-6-14(7-9-21)15-4-3-5-16(10-15)23-2;1-13(22)20-18-19-11-15(24-18)12-21-9-7-14(8-10-21)16-5-3-4-6-17(16)23-2;1-12(21)19-17-18-10-16(23-17)11-20-8-6-14(7-9-20)13-2-4-15(22)5-3-13;1-12(21)19-17-18-10-16(23-17)11-20-7-5-13(6-8-20)14-3-2-4-15(22)9-14;1-12(21)19-17-18-10-14(23-17)11-20-8-6-13(7-9-20)15-4-2-3-5-16(15)22/h3-5,10-11,14H,6-9,12H2,1-2H3,(H,19,20,22);3-6,11,14H,7-10,12H2,1-2H3,(H,19,20,22);2-5,10,14,22H,6-9,11H2,1H3,(H,18,19,21);2-4,9-10,13,22H,5-8,11H2,1H3,(H,18,19,21);2-5,10,13,22H,6-9,11H2,1H3,(H,18,19,21).
What are the key properties of N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 1685.26 g/mol, XLogP of 16.54, 22 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(2-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(4-hydroxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 159990485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).