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

C14H21N3O2S — CID 16886515

IUPACN-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCN1CCC(CNC(=O)C(=O)NCc2cccs2)CC1
InChIInChI=1S/C14H21N3O2S/c1-17-6-4-11(5-7-17)9-15-13(18)14(19)16-10-12-3-2-8-20-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyMFFJPWTWJJMOLU-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.82
Rot. Bonds4

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

N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 16886515) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID16886515
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCN1CCC(CNC(=O)C(=O)NCc2cccs2)CC1
InChIInChI=1S/C14H21N3O2S/c1-17-6-4-11(5-7-17)9-15-13(18)14(19)16-10-12-3-2-8-20-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyMFFJPWTWJJMOLU-UHFFFAOYSA-N
XLogP0.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16887280
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
(2S)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 95606770
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 97039665
1-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 119104084
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
4-[(thiophen-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532069
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 16886515) is N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide is CN1CCC(CNC(=O)C(=O)NCc2cccs2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is MFFJPWTWJJMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-17-6-4-11(5-7-17)9-15-13(18)14(19)16-10-12-3-2-8-20-12/h2-3,8,11H,4-7,9-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 295.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 16886515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).