ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate

C18H24N2O4 — CID 31542203

IUPACethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)/C=C/c2ccccc2OC)CC1
InChIInChI=1S/C18H24N2O4/c1-3-24-18(22)20-12-10-15(11-13-20)19-17(21)9-8-14-6-4-5-7-16(14)23-2/h4-9,15H,3,10-13H2,1-2H3,(H,19,21)/b9-8+
InChIKeyUMRYHHUCOSUHIK-CMDGGOBGSA-N
MW332.40 g/mol
LogP2.45
Rot. Bonds5

About ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate

ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate (PubChem CID 31542203) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
PubChem CID31542203
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)/C=C/c2ccccc2OC)CC1
InChIInChI=1S/C18H24N2O4/c1-3-24-18(22)20-12-10-15(11-13-20)19-17(21)9-8-14-6-4-5-7-16(14)23-2/h4-9,15H,3,10-13H2,1-2H3,(H,19,21)/b9-8+
InChIKeyUMRYHHUCOSUHIK-CMDGGOBGSA-N
XLogP2.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate 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)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108933036
(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 108922386
(Z)-3-(2-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 67915404
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
ethyl 4-[[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542300
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 43010695
ethyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542271
2,2,2-trifluoro-N-[1-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 108933035

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate (CID 31542203) is ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)/C=C/c2ccccc2OC)CC1.
What is the InChIKey of ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate?
The InChIKey is UMRYHHUCOSUHIK-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-24-18(22)20-12-10-15(11-13-20)19-17(21)9-8-14-6-4-5-7-16(14)23-2/h4-9,15H,3,10-13H2,1-2H3,(H,19,21)/b9-8+.
What are the key properties of ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 31542203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).