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

C19H28N2O4 — CID 32964517

IUPACethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O4/c1-4-24-19(23)21-11-9-16(10-12-21)20-18(22)13-25-17-7-5-15(6-8-17)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3,(H,20,22)
InChIKeyJUFVZEKRXSDMEC-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.93
Rot. Bonds6

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

ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate (PubChem CID 32964517) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
PubChem CID32964517
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nameethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O4/c1-4-24-19(23)21-11-9-16(10-12-21)20-18(22)13-25-17-7-5-15(6-8-17)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3,(H,20,22)
InChIKeyJUFVZEKRXSDMEC-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740
2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108560903
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 8616599
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate (CID 32964517) is ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)COc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is JUFVZEKRXSDMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-24-19(23)21-11-9-16(10-12-21)20-18(22)13-25-17-7-5-15(6-8-17)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3,(H,20,22).
What are the key properties of ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 32964517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).