N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide

C22H24N2O2S2 — CID 162891771

IUPACN-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
SMILESCC1(O)CCN(Cc2cccs2)C(c2cccs2)C1NC(=O)c1ccccc1
InChIInChI=1S/C22H24N2O2S2/c1-22(26)11-12-24(15-17-9-5-13-27-17)19(18-10-6-14-28-18)20(22)23-21(25)16-7-3-2-4-8-16/h2-10,13-14,19-20,26H,11-12,15H2,1H3,(H,23,25)
InChIKeyDBVBYIPCGUHEHM-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.31
Rot. Bonds5

About N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide

N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide (PubChem CID 162891771) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
PubChem CID162891771
Molecular FormulaC22H24N2O2S2
Molecular Weight412.58 g/mol
Exact Mass412.13
IUPAC NameN-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
SMILESCC1(O)CCN(Cc2cccs2)C(c2cccs2)C1NC(=O)c1ccccc1
InChIInChI=1S/C22H24N2O2S2/c1-22(26)11-12-24(15-17-9-5-13-27-17)19(18-10-6-14-28-18)20(22)23-21(25)16-7-3-2-4-8-16/h2-10,13-14,19-20,26H,11-12,15H2,1H3,(H,23,25)
InChIKeyDBVBYIPCGUHEHM-UHFFFAOYSA-N
XLogP4.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-(pyridin-4-ylmethyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 125418227
4-fluoro-N-[4-hydroxy-4-methyl-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 162890523
N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 162790727
4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 125418306
N-[(2R,3S,4R)-1-[(2-chlorophenyl)methyl]-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 125417994
N-[1-[(2-chlorophenyl)methyl]-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 162847346
N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-propyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 125418298
N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 162799348
N-[1-(cyclopentylmethyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 162940206
N-[(2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 125418154
N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide
CID 162812410
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 163073903

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide (CID 162891771) is N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide is CC1(O)CCN(Cc2cccs2)C(c2cccs2)C1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide?
The InChIKey is DBVBYIPCGUHEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S2/c1-22(26)11-12-24(15-17-9-5-13-27-17)19(18-10-6-14-28-18)20(22)23-21(25)16-7-3-2-4-8-16/h2-10,13-14,19-20,26H,11-12,15H2,1H3,(H,23,25).
What are the key properties of N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide?
N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide has a molecular weight of 412.58 g/mol, XLogP of 4.31, 5 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-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 162891771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).