(E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide

C20H22N2O2S — CID 17179761

IUPAC(E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)CC1
InChIInChI=1S/C20H22N2O2S/c1-15-10-12-22(13-11-15)20(24)16-4-6-17(7-5-16)21-19(23)9-8-18-3-2-14-25-18/h2-9,14-15H,10-13H2,1H3,(H,21,23)/b9-8+
InChIKeyIMAZCEKOXQEWSM-CMDGGOBGSA-N
MW354.48 g/mol
LogP4.27
Rot. Bonds4

About (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 17179761) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID17179761
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name(E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)CC1
InChIInChI=1S/C20H22N2O2S/c1-15-10-12-22(13-11-15)20(24)16-4-6-17(7-5-16)21-19(23)9-8-18-3-2-14-25-18/h2-9,14-15H,10-13H2,1H3,(H,21,23)/b9-8+
InChIKeyIMAZCEKOXQEWSM-CMDGGOBGSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.27
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

(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 24655371
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1416489
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 17179761) is (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide is CC1CCN(C(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)CC1.
What is the InChIKey of (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is IMAZCEKOXQEWSM-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-10-12-22(13-11-15)20(24)16-4-6-17(7-5-16)21-19(23)9-8-18-3-2-14-25-18/h2-9,14-15H,10-13H2,1H3,(H,21,23)/b9-8+.
What are the key properties of (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 354.48 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 17179761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).