(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide

C23H26N2O4 — CID 6234232

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-28-20-12-10-17(16-21(20)29-2)11-13-22(26)24-19-9-5-4-8-18(19)23(27)25-14-6-3-7-15-25/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,26)/b13-11+
InChIKeyQXRUQUPCPDTYSZ-ACCUITESSA-N
MW394.47 g/mol
LogP3.98
Rot. Bonds6

About (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 6234232) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID6234232
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C23H26N2O4/c1-28-20-12-10-17(16-21(20)29-2)11-13-22(26)24-19-9-5-4-8-18(19)23(27)25-14-6-3-7-15-25/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,26)/b13-11+
InChIKeyQXRUQUPCPDTYSZ-ACCUITESSA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26706811
3-(3,4-dimethoxyphenyl)-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 4933224
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
CID 55638944
(E)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55639593
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide
CID 35275643
2-[[(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 67889721
N-[2-[3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55737442
ethyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 1219697
ethyl 4-[2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoyl]piperazine-1-carboxylate
CID 17311981
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-N-prop-2-ynylbenzamide
CID 74334393
pyrrolidin-1-yl 2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 70456889
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide (CID 6234232) is (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is QXRUQUPCPDTYSZ-ACCUITESSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-28-20-12-10-17(16-21(20)29-2)11-13-22(26)24-19-9-5-4-8-18(19)23(27)25-14-6-3-7-15-25/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,26)/b13-11+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 394.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 6234232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).