ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate

C21H32N2O4 — CID 51177018

IUPACethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O4/c1-6-26-20(25)23-13-11-17(12-14-23)22-19(24)15(2)27-18-9-7-16(8-10-18)21(3,4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,22,24)
InChIKeyAZHPCTYLUCRSAY-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.49
Rot. Bonds5

About ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate

ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate (PubChem CID 51177018) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
PubChem CID51177018
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Nameethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O4/c1-6-26-20(25)23-13-11-17(12-14-23)22-19(24)15(2)27-18-9-7-16(8-10-18)21(3,4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,22,24)
InChIKeyAZHPCTYLUCRSAY-UHFFFAOYSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
CID 119475538
ethyl 4-[2-(4-tert-butylphenoxy)ethylcarbamoylamino]piperidine-1-carboxylate
CID 112972858
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 108560850
ethyl 4-[[N'-[2-(4-tert-butylphenoxy)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111032394
ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
CID 110355792
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655152
(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7703486
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[N'-[(4-tert-butylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111045475
ethyl 4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]piperidine-1-carboxylate
CID 55562209

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate (CID 51177018) is ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate?
The InChIKey is AZHPCTYLUCRSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-6-26-20(25)23-13-11-17(12-14-23)22-19(24)15(2)27-18-9-7-16(8-10-18)21(3,4)5/h7-10,15,17H,6,11-14H2,1-5H3,(H,22,24).
What are the key properties of ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 51177018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).