N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide

C25H26N2O4S — CID 162790727

IUPACN-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
SMILESCC1(O)CCN(C(=O)COc2ccccc2)C(c2cccs2)C1NC(=O)c1ccccc1
InChIInChI=1S/C25H26N2O4S/c1-25(30)14-15-27(21(28)17-31-19-11-6-3-7-12-19)22(20-13-8-16-32-20)23(25)26-24(29)18-9-4-2-5-10-18/h2-13,16,22-23,30H,14-15,17H2,1H3,(H,26,29)
InChIKeyQASXXVIYDXNZFX-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.65
Rot. Bonds6

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

N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide (PubChem CID 162790727) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
PubChem CID162790727
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
SMILESCC1(O)CCN(C(=O)COc2ccccc2)C(c2cccs2)C1NC(=O)c1ccccc1
InChIInChI=1S/C25H26N2O4S/c1-25(30)14-15-27(21(28)17-31-19-11-6-3-7-12-19)22(20-13-8-16-32-20)23(25)26-24(29)18-9-4-2-5-10-18/h2-13,16,22-23,30H,14-15,17H2,1H3,(H,26,29)
InChIKeyQASXXVIYDXNZFX-UHFFFAOYSA-N
XLogP3.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-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

N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 162891771
N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-(pyridin-4-ylmethyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 125418227
N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790486
4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propan-2-yl-2-thiophen-2-ylpiperidine-1-carboxamide
CID 162790441
2-phenoxy-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 42781009
4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide
CID 162790734
N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 162790737
N-[(2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 125418154
N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 162888938
N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-propyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 125418298
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-[1-(cyclopentylmethyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 162940206

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide?
The IUPAC name of N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide (CID 162790727) is N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide is CC1(O)CCN(C(=O)COc2ccccc2)C(c2cccs2)C1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide?
The InChIKey is QASXXVIYDXNZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-25(30)14-15-27(21(28)17-31-19-11-6-3-7-12-19)22(20-13-8-16-32-20)23(25)26-24(29)18-9-4-2-5-10-18/h2-13,16,22-23,30H,14-15,17H2,1H3,(H,26,29).
What are the key properties of N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide?
N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.65, 6 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-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide is sourced from PubChem (CID 162790727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).