N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide

C18H27N3O5S — CID 162790737

IUPACN-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1C(c2cccs2)N(C(=O)N2CCOCC2)CCC1(C)O
InChIInChI=1S/C18H27N3O5S/c1-18(24)5-6-21(17(23)20-7-9-26-10-8-20)15(13-4-3-11-27-13)16(18)19-14(22)12-25-2/h3-4,11,15-16,24H,5-10,12H2,1-2H3,(H,19,22)
InChIKeyIDKJGVOOMUDKCF-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.83
Rot. Bonds4

About N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide

N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide (PubChem CID 162790737) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
PubChem CID162790737
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC NameN-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1C(c2cccs2)N(C(=O)N2CCOCC2)CCC1(C)O
InChIInChI=1S/C18H27N3O5S/c1-18(24)5-6-21(17(23)20-7-9-26-10-8-20)15(13-4-3-11-27-13)16(18)19-14(22)12-25-2/h3-4,11,15-16,24H,5-10,12H2,1-2H3,(H,19,22)
InChIKeyIDKJGVOOMUDKCF-UHFFFAOYSA-N
XLogP0.83
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2R,3S,4R)-4-hydroxy-4-methyl-1-propyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 125418298
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-1-(2-phenoxyacetyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 162790727
N-[4-hydroxy-1-(4-methoxybenzoyl)-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 162888938
N-[4-hydroxy-4-methyl-2-thiophen-2-yl-1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 162891771
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-(pyridin-4-ylmethyl)-2-thiophen-2-ylpiperidin-3-yl]benzamide
CID 125418227

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide (CID 162790737) is N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide is COCC(=O)NC1C(c2cccs2)N(C(=O)N2CCOCC2)CCC1(C)O.
What is the InChIKey of N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide?
The InChIKey is IDKJGVOOMUDKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-18(24)5-6-21(17(23)20-7-9-26-10-8-20)15(13-4-3-11-27-13)16(18)19-14(22)12-25-2/h3-4,11,15-16,24H,5-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide?
N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide has a molecular weight of 397.50 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-4-methyl-1-(morpholine-4-carbonyl)-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 162790737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).