ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate

C21H30N2O4 — CID 14989203

IUPACethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CCCOc2ccc(C3=NCCCO3)cc2)CC1
InChIInChI=1S/C21H30N2O4/c1-2-25-21(24)23-13-10-17(11-14-23)5-3-15-26-19-8-6-18(7-9-19)20-22-12-4-16-27-20/h6-9,17H,2-5,10-16H2,1H3
InChIKeyIOCSVTIZFJTCCI-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.88
Rot. Bonds7

About ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate

ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate (PubChem CID 14989203) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate
PubChem CID14989203
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Nameethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CCCOc2ccc(C3=NCCCO3)cc2)CC1
InChIInChI=1S/C21H30N2O4/c1-2-25-21(24)23-13-10-17(11-14-23)5-3-15-26-19-8-6-18(7-9-19)20-22-12-4-16-27-20/h6-9,17H,2-5,10-16H2,1H3
InChIKeyIOCSVTIZFJTCCI-UHFFFAOYSA-N
XLogP3.88
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]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

ethyl 4-[3-(3-fluoro-4-methylsulfonylphenoxy)propyl]piperidine-1-carboxylate
CID 59233990
4-(3-pyridin-4-yloxypropyl)piperidine-1-carboxylic acid
CID 154254683
butyl 4-[[4-(1,2-oxazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate
CID 142662808
ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 19748294
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119373343
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
ethyl 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenoxy]piperidine-1-carboxylate
CID 86298856
ethyl 4-[2-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]ethoxy]benzoate
CID 66851471
1,3-thiazol-2-ylmethyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 53327464
tert-butyl 4-[3-[4-(1-methoxyethyl)-3-methylphenoxy]propyl]piperidine-1-carboxylate
CID 123723111
ethyl 4-[[N'-[2-(4-tert-butylphenoxy)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111032394

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate (CID 14989203) is ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CCCOc2ccc(C3=NCCCO3)cc2)CC1.
What is the InChIKey of ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate?
The InChIKey is IOCSVTIZFJTCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-2-25-21(24)23-13-10-17(11-14-23)5-3-15-26-19-8-6-18(7-9-19)20-22-12-4-16-27-20/h6-9,17H,2-5,10-16H2,1H3.
What are the key properties of ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate?
ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenoxy]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 14989203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).