(E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide

C21H24N2O2S — CID 55677649

IUPAC(E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)/C=C/c2ccsc2)C1
InChIInChI=1S/C21H24N2O2S/c1-15-11-16(2)13-23(12-15)21(25)18-5-3-4-6-19(18)22-20(24)8-7-17-9-10-26-14-17/h3-10,14-16H,11-13H2,1-2H3,(H,22,24)/b8-7+
InChIKeyHJSQBYLRMJUQKT-BQYQJAHWSA-N
MW368.50 g/mol
LogP4.52
Rot. Bonds4

About (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide

(E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 55677649) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID55677649
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name(E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)/C=C/c2ccsc2)C1
InChIInChI=1S/C21H24N2O2S/c1-15-11-16(2)13-23(12-15)21(25)18-5-3-4-6-19(18)22-20(24)8-7-17-9-10-26-14-17/h3-10,14-16H,11-13H2,1-2H3,(H,22,24)/b8-7+
InChIKeyHJSQBYLRMJUQKT-BQYQJAHWSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
(E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 46437256
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methylsulfanylpropanamide
CID 60547227
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234930
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
(E)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26706811
(E)-N-[2-(azepane-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6234393
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119717968
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567
N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55677137
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide (CID 55677649) is (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)/C=C/c2ccsc2)C1.
What is the InChIKey of (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is HJSQBYLRMJUQKT-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-11-16(2)13-23(12-15)21(25)18-5-3-4-6-19(18)22-20(24)8-7-17-9-10-26-14-17/h3-10,14-16H,11-13H2,1-2H3,(H,22,24)/b8-7+.
What are the key properties of (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide?
(E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 368.50 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 55677649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).