1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide

C13H19N3O2S — CID 115286098

IUPAC1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C13H19N3O2S/c1-15-12(17)9-4-6-16(7-5-9)13(18)11(14)10-3-2-8-19-10/h2-3,8-9,11H,4-7,14H2,1H3,(H,15,17)
InChIKeyFPXUHFGFLPBLQY-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.73
Rot. Bonds3

About 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide

1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide (PubChem CID 115286098) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
PubChem CID115286098
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(N)c2cccs2)CC1
InChIInChI=1S/C13H19N3O2S/c1-15-12(17)9-4-6-16(7-5-9)13(18)11(14)10-3-2-8-19-10/h2-3,8-9,11H,4-7,14H2,1H3,(H,15,17)
InChIKeyFPXUHFGFLPBLQY-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-tert-butylazepan-1-yl)-2-thiophen-2-ylethanone
CID 115287351
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 113279080
2-amino-1-(4-methylsulfonylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115286554
ethyl 4-(2-amino-2-thiophen-2-ylacetyl)piperazine-1-carboxylate
CID 115286815
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-[4-(2-amino-2-thiophen-2-ylacetyl)piperazin-1-yl]-3-methylbutan-1-one
CID 115286671
2-amino-1-(4-propylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 115285943
2-amino-1-(1,4-thiazepan-4-yl)-2-thiophen-2-ylethanone
CID 115287048
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide (CID 115286098) is 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C(N)c2cccs2)CC1.
What is the InChIKey of 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is FPXUHFGFLPBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-15-12(17)9-4-6-16(7-5-9)13(18)11(14)10-3-2-8-19-10/h2-3,8-9,11H,4-7,14H2,1H3,(H,15,17).
What are the key properties of 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide?
1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-thiophen-2-ylacetyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 115286098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).