N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide

C24H32N2O4S — CID 162888938

IUPACN-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
SMILESCOc1ccc(C(=O)N2CCC(C)(O)C(NC(=O)CC(C)(C)C)C2c2cccs2)cc1
InChIInChI=1S/C24H32N2O4S/c1-23(2,3)15-19(27)25-21-20(18-7-6-14-31-18)26(13-12-24(21,4)29)22(28)16-8-10-17(30-5)11-9-16/h6-11,14,20-21,29H,12-13,15H2,1-5H3,(H,25,27)
InChIKeyWYAGPHRQJNAVEB-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.02
Rot. Bonds5

About N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide

N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide (PubChem CID 162888938) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
PubChem CID162888938
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
SMILESCOc1ccc(C(=O)N2CCC(C)(O)C(NC(=O)CC(C)(C)C)C2c2cccs2)cc1
InChIInChI=1S/C24H32N2O4S/c1-23(2,3)15-19(27)25-21-20(18-7-6-14-31-18)26(13-12-24(21,4)29)22(28)16-8-10-17(30-5)11-9-16/h6-11,14,20-21,29H,12-13,15H2,1-5H3,(H,25,27)
InChIKeyWYAGPHRQJNAVEB-UHFFFAOYSA-N
XLogP4.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S,4R)-1-acetyl-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 125418154
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
4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propan-2-yl-2-thiophen-2-ylpiperidine-1-carboxamide
CID 162790441
4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide
CID 162790734
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 163073903
N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 162790737
N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 162790727
N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-propyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 125418298
4-fluoro-N-[(2R,3S,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 125418306
N-[1-(cyclopentylmethyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 162940206
N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 162891771

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide (CID 162888938) is N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide is COc1ccc(C(=O)N2CCC(C)(O)C(NC(=O)CC(C)(C)C)C2c2cccs2)cc1.
What is the InChIKey of N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide?
The InChIKey is WYAGPHRQJNAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-23(2,3)15-19(27)25-21-20(18-7-6-14-31-18)26(13-12-24(21,4)29)22(28)16-8-10-17(30-5)11-9-16/h6-11,14,20-21,29H,12-13,15H2,1-5H3,(H,25,27).
What are the key properties of N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide?
N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide has a molecular weight of 444.60 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 162888938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).