(E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide

C27H34N2O4 — CID 55553424

IUPAC(E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NC2CCN(C3CC3)CC2)ccc1OCCOc1ccccc1
InChIInChI=1S/C27H34N2O4/c1-2-31-26-20-21(8-12-25(26)33-19-18-32-24-6-4-3-5-7-24)9-13-27(30)28-22-14-16-29(17-15-22)23-10-11-23/h3-9,12-13,20,22-23H,2,10-11,14-19H2,1H3,(H,28,30)/b13-9+
InChIKeyQIVPYECDKYSRHF-UKTHLTGXSA-N
MW450.58 g/mol
LogP4.30
Rot. Bonds11

About (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide

(E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide (PubChem CID 55553424) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
PubChem CID55553424
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name(E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NC2CCN(C3CC3)CC2)ccc1OCCOc1ccccc1
InChIInChI=1S/C27H34N2O4/c1-2-31-26-20-21(8-12-25(26)33-19-18-32-24-6-4-3-5-7-24)9-13-27(30)28-22-14-16-29(17-15-22)23-10-11-23/h3-9,12-13,20,22-23H,2,10-11,14-19H2,1H3,(H,28,30)/b13-9+
InChIKeyQIVPYECDKYSRHF-UKTHLTGXSA-N
XLogP4.30
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)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

3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 78767527
(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)prop-2-enamide
CID 42942947
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 75405131
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
(E)-N-(1,1-dioxothiolan-3-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-propylprop-2-enamide
CID 55330276
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
ethyl 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 43010695
(E)-N-[4-(cyanomethoxy)phenyl]-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 30873472
(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 16625934
4-[[[(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enoyl]amino]methyl]-N,N-dimethylbenzamide
CID 46541731
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566499

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide (CID 55553424) is (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide is CCOc1cc(/C=C/C(=O)NC2CCN(C3CC3)CC2)ccc1OCCOc1ccccc1.
What is the InChIKey of (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The InChIKey is QIVPYECDKYSRHF-UKTHLTGXSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-2-31-26-20-21(8-12-25(26)33-19-18-32-24-6-4-3-5-7-24)9-13-27(30)28-22-14-16-29(17-15-22)23-10-11-23/h3-9,12-13,20,22-23H,2,10-11,14-19H2,1H3,(H,28,30)/b13-9+.
What are the key properties of (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide?
(E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide has a molecular weight of 450.58 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 55553424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).