ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate

C20H30N2O4 — CID 108560850

IUPACethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(C)Oc2ccccc2C(C)C)CC1
InChIInChI=1S/C20H30N2O4/c1-5-25-20(24)22-12-10-16(11-13-22)21-19(23)15(4)26-18-9-7-6-8-17(18)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,23)
InChIKeyWYOUUZHZRKWPML-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.31
Rot. Bonds6

About ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate

ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate (PubChem CID 108560850) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
PubChem CID108560850
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nameethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(C)Oc2ccccc2C(C)C)CC1
InChIInChI=1S/C20H30N2O4/c1-5-25-20(24)22-12-10-16(11-13-22)21-19(23)15(4)26-18-9-7-6-8-17(18)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,23)
InChIKeyWYOUUZHZRKWPML-UHFFFAOYSA-N
XLogP3.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108558492
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552919
ethyl 4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]piperidine-1-carboxylate
CID 55562209
2-methylpropyl N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]carbamate
CID 108565085
(2R)-2-(2-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27233966
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108552899
ethyl 4-[[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]piperidine-1-carboxylate
CID 7875002
2-cyano-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108548367
ethyl 4-[2-(4-tert-butylphenoxy)propanoylamino]piperidine-1-carboxylate
CID 51177018
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate (CID 108560850) is ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(C)Oc2ccccc2C(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate?
The InChIKey is WYOUUZHZRKWPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-25-20(24)22-12-10-16(11-13-22)21-19(23)15(4)26-18-9-7-6-8-17(18)14(2)3/h6-9,14-16H,5,10-13H2,1-4H3,(H,21,23).
What are the key properties of ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-propan-2-ylphenoxy)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 108560850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).