N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one

C14H19N3O3S — CID 156745130

IUPACN-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(NC)C(=O)N1.CC(=O)Nc1sccc1C=O
InChIInChI=1S/C7H12N2O.C7H7NO2S/c1-5-3-4-6(8-2)7(10)9-5;1-5(10)8-7-6(4-9)2-3-11-7/h6,8H,1,3-4H2,2H3,(H,9,10);2-4H,1H3,(H,8,10)
InChIKeySDFHEBZXBIQHEL-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.52
Rot. Bonds3

About N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one

N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one (PubChem CID 156745130) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one.

Molecular Properties

Compound NameN-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one
PubChem CID156745130
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one
SMILESC=C1CCC(NC)C(=O)N1.CC(=O)Nc1sccc1C=O
InChIInChI=1S/C7H12N2O.C7H7NO2S/c1-5-3-4-6(8-2)7(10)9-5;1-5(10)8-7-6(4-9)2-3-11-7/h6,8H,1,3-4H2,2H3,(H,9,10);2-4H,1H3,(H,8,10)
InChIKeySDFHEBZXBIQHEL-UHFFFAOYSA-N
XLogP1.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethenylthiophen-2-yl)acetamide
CID 165358616
2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione
CID 177365985
5-chloro-2-(methylamino)-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-3-carboxamide
CID 156745004
2-acetylthiophene-3-carbaldehyde
CID 59760330
N-[3-[(E)-2-thiophen-2-ylethenyl]thiophen-2-yl]acetamide
CID 12666433
4-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 167647100
3-(2-tert-butylanilino)-6-methylidenepiperidin-2-one
CID 170079741
2-(2-acetamidothiophen-3-yl)acetic acid
CID 69450686
2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431042
[3-[(2-aminoacetyl)amino]-2-methylphenyl]methylidenemercury;formaldehyde;3-(methylamino)piperidine-2,6-dione
CID 143421285
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide
CID 71999399
methyl N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)carbamate
CID 10680716

Frequently Asked Questions

What is the IUPAC name of N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one?
The IUPAC name of N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one (CID 156745130) is N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one.
What is the SMILES notation for N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one?
The canonical SMILES for N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one is C=C1CCC(NC)C(=O)N1.CC(=O)Nc1sccc1C=O.
What is the InChIKey of N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one?
The InChIKey is SDFHEBZXBIQHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C7H7NO2S/c1-5-3-4-6(8-2)7(10)9-5;1-5(10)8-7-6(4-9)2-3-11-7/h6,8H,1,3-4H2,2H3,(H,9,10);2-4H,1H3,(H,8,10).
What are the key properties of N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one?
N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one has a molecular weight of 309.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylthiophen-2-yl)acetamide;3-(methylamino)-6-methylidenepiperidin-2-one is sourced from PubChem (CID 156745130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).