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

C19H27NO4 — CID 1082805

IUPACethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H27NO4/c1-4-23-19(22)16-9-11-20(12-10-16)18(21)13-24-17-7-5-15(6-8-17)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyPRELEZAKWQYWPB-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.99
Rot. Bonds6

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

ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate (PubChem CID 1082805) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
PubChem CID1082805
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Nameethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H27NO4/c1-4-23-19(22)16-9-11-20(12-10-16)18(21)13-24-17-7-5-15(6-8-17)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3
InChIKeyPRELEZAKWQYWPB-UHFFFAOYSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 126199408
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
ethyl 1-[1-(4-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-4-carboxylate
CID 108880493
1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile
CID 49063748
ethyl 1-[2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]acetyl]piperidine-4-carboxylate
CID 21368070
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 39702422
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119485990
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119380300

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate (CID 1082805) is ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate?
The InChIKey is PRELEZAKWQYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-23-19(22)16-9-11-20(12-10-16)18(21)13-24-17-7-5-15(6-8-17)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3.
What are the key properties of ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 1082805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).