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

C22H26N2O4 — CID 4009402

IUPACethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-2-27-22(26)24-14-12-19(13-15-24)23-21(25)16-28-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,23,25)
InChIKeyDLKRPGLSIZUUKR-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.47
Rot. Bonds6

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

ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate (PubChem CID 4009402) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
PubChem CID4009402
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-2-27-22(26)24-14-12-19(13-15-24)23-21(25)16-28-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,23,25)
InChIKeyDLKRPGLSIZUUKR-UHFFFAOYSA-N
XLogP3.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
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
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34321831
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate (CID 4009402) is ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)COc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is DLKRPGLSIZUUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-27-22(26)24-14-12-19(13-15-24)23-21(25)16-28-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,23,25).
What are the key properties of ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.47, 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-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 4009402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).