tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate

C20H30N2O5 — CID 51232746

IUPACtert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCOc1ccc(OCCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O5/c1-20(2,3)27-19(24)22-12-9-15(10-13-22)18(23)21-11-14-26-17-7-5-16(25-4)6-8-17/h5-8,15H,9-14H2,1-4H3,(H,21,23)
InChIKeyGZBQXUCNPSZHCU-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.84
Rot. Bonds6

About tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 51232746) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID51232746
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Nametert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCOc1ccc(OCCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O5/c1-20(2,3)27-19(24)22-12-9-15(10-13-22)18(23)21-11-14-26-17-7-5-16(25-4)6-8-17/h5-8,15H,9-14H2,1-4H3,(H,21,23)
InChIKeyGZBQXUCNPSZHCU-UHFFFAOYSA-N
XLogP2.84
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587
N-[2-(4-methoxyphenoxy)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005371
1-(2,2-dimethylpropanoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 37361348
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclobutanecarboxamide
CID 112994880
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817
tert-butyl 4-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 55946757
tert-butyl 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 56524382
1-[2-(4-methoxyphenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046333

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate (CID 51232746) is tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate is COc1ccc(OCCNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is GZBQXUCNPSZHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-20(2,3)27-19(24)22-12-9-15(10-13-22)18(23)21-11-14-26-17-7-5-16(25-4)6-8-17/h5-8,15H,9-14H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 51232746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).