N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide

C18H23N3O2S — CID 162812410

IUPACN-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1C(c2ccccc2)N(Cc2nccs2)CCC1(C)O
InChIInChI=1S/C18H23N3O2S/c1-13(22)20-17-16(14-6-4-3-5-7-14)21(10-8-18(17,2)23)12-15-19-9-11-24-15/h3-7,9,11,16-17,23H,8,10,12H2,1-2H3,(H,20,22)
InChIKeyZGIQAXZKTRGSNA-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.35
Rot. Bonds4

About N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide

N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide (PubChem CID 162812410) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide
PubChem CID162812410
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1C(c2ccccc2)N(Cc2nccs2)CCC1(C)O
InChIInChI=1S/C18H23N3O2S/c1-13(22)20-17-16(14-6-4-3-5-7-14)21(10-8-18(17,2)23)12-15-19-9-11-24-15/h3-7,9,11,16-17,23H,8,10,12H2,1-2H3,(H,20,22)
InChIKeyZGIQAXZKTRGSNA-UHFFFAOYSA-N
XLogP2.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide
CID 125417085
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 162790633
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162934093
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162790397
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
CID 162790477
N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-(pyridin-4-ylmethyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 125418227
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 162891771
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide
CID 162790407

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide (CID 162812410) is N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide is CC(=O)NC1C(c2ccccc2)N(Cc2nccs2)CCC1(C)O.
What is the InChIKey of N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide?
The InChIKey is ZGIQAXZKTRGSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(22)20-17-16(14-6-4-3-5-7-14)21(10-8-18(17,2)23)12-15-19-9-11-24-15/h3-7,9,11,16-17,23H,8,10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide?
N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 162812410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).