prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate

C19H26N2O5 — CID 108564964

IUPACprop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)COc2ccccc2OCC)CC1
InChIInChI=1S/C19H26N2O5/c1-3-13-25-19(23)20-15-9-11-21(12-10-15)18(22)14-26-17-8-6-5-7-16(17)24-4-2/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,23)
InChIKeyQOICPUBEKFLPFH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.37
Rot. Bonds8

About prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate

prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate (PubChem CID 108564964) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
PubChem CID108564964
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameprop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)COc2ccccc2OCC)CC1
InChIInChI=1S/C19H26N2O5/c1-3-13-25-19(23)20-15-9-11-21(12-10-15)18(22)14-26-17-8-6-5-7-16(17)24-4-2/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,23)
InChIKeyQOICPUBEKFLPFH-UHFFFAOYSA-N
XLogP2.37
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate 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

N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564991
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
tert-butyl N-[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919622
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550593
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
N-cyclopropyl-2-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55408712
prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567125
prop-2-enyl N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]carbamate
CID 108565374
2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate (CID 108564964) is prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate is C=CCOC(=O)NC1CCN(C(=O)COc2ccccc2OCC)CC1.
What is the InChIKey of prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate?
The InChIKey is QOICPUBEKFLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-13-25-19(23)20-15-9-11-21(12-10-15)18(22)14-26-17-8-6-5-7-16(17)24-4-2/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,23).
What are the key properties of prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate?
prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate has a molecular weight of 362.43 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108564964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).