4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide

C17H27N3O4S — CID 162790734

IUPAC4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C)(O)C(NC(=O)COC)C1c1cccs1
InChIInChI=1S/C17H27N3O4S/c1-4-8-18-16(22)20-9-7-17(2,23)15(19-13(21)11-24-3)14(20)12-6-5-10-25-12/h5-6,10,14-15,23H,4,7-9,11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyJXAKNUQBVPJZEW-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.50
Rot. Bonds6

About 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide

4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 162790734) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID162790734
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(C)(O)C(NC(=O)COC)C1c1cccs1
InChIInChI=1S/C17H27N3O4S/c1-4-8-18-16(22)20-9-7-17(2,23)15(19-13(21)11-24-3)14(20)12-6-5-10-25-12/h5-6,10,14-15,23H,4,7-9,11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyJXAKNUQBVPJZEW-UHFFFAOYSA-N
XLogP1.50
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
N-[(2R,3S,4R)-4-hydroxy-4-methyl-1-propyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 125418298
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-[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
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
CID 162790473
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-[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 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide (CID 162790734) is 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(C)(O)C(NC(=O)COC)C1c1cccs1.
What is the InChIKey of 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is JXAKNUQBVPJZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-8-18-16(22)20-9-7-17(2,23)15(19-13(21)11-24-3)14(20)12-6-5-10-25-12/h5-6,10,14-15,23H,4,7-9,11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide?
4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(2-methoxyacetyl)amino]-4-methyl-N-propyl-2-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 162790734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).