N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide

C16H25N3O3S — CID 16887352

IUPACN-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H25N3O3S/c1-22-9-6-17-15(20)16(21)18-11-13-4-7-19(8-5-13)12-14-3-2-10-23-14/h2-3,10,13H,4-9,11-12H2,1H3,(H,17,20)(H,18,21)
InChIKeySCNHJHIPQCBVEH-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.84
Rot. Bonds7

About N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide

N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887352) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887352
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H25N3O3S/c1-22-9-6-17-15(20)16(21)18-11-13-4-7-19(8-5-13)12-14-3-2-10-23-14/h2-3,10,13H,4-9,11-12H2,1H3,(H,17,20)(H,18,21)
InChIKeySCNHJHIPQCBVEH-UHFFFAOYSA-N
XLogP0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
N~1~,N~1~-dimethyl-N~4~-(thien-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 3239396
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310438
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
N~1~-butyl-N~2~-{[(3-morpholin-4-ylpropyl)(thien-2-ylmethyl)amino]carbonothioyl}glycinamide
CID 12005419
1-[3-(Morpholin-4-YL)propyl]-3-[2-oxo-2-(pyrrolidin-1-YL)ethyl]-1-[(thiophen-2-YL)methyl]thiourea
CID 16193093
N-[2-(Dimethylamino)ethyl]-2-({[3-(morpholin-4-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetamide
CID 16193352
N-[3-(Diethylamino)propyl]-2-({[3-(morpholin-4-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetamide
CID 16193384
N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)-2-oxo-2-piperidin-1-ylacetamide
CID 20866332
2,2-dimethyl-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)propanamide
CID 16194562

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887352) is N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is COCCNC(=O)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is SCNHJHIPQCBVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-22-9-6-17-15(20)16(21)18-11-13-4-7-19(8-5-13)12-14-3-2-10-23-14/h2-3,10,13H,4-9,11-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 339.46 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).