ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate

C18H26N2O5 — CID 112977740

IUPACethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COc2cccc(OCC)c2)CC1
InChIInChI=1S/C18H26N2O5/c1-3-23-15-6-5-7-16(12-15)25-13-17(21)19-14-8-10-20(11-9-14)18(22)24-4-2/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,19,21)
InChIKeyCDJIIXWWRYGTPY-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.20
Rot. Bonds7

About ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate (PubChem CID 112977740) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
PubChem CID112977740
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nameethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COc2cccc(OCC)c2)CC1
InChIInChI=1S/C18H26N2O5/c1-3-23-15-6-5-7-16(12-15)25-13-17(21)19-14-8-10-20(11-9-14)18(22)24-4-2/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,19,21)
InChIKeyCDJIIXWWRYGTPY-UHFFFAOYSA-N
XLogP2.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
ethyl 4-[[N'-[3-(3-methoxyphenoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111816962
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate (CID 112977740) is ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)COc2cccc(OCC)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is CDJIIXWWRYGTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-23-15-6-5-7-16(12-15)25-13-17(21)19-14-8-10-20(11-9-14)18(22)24-4-2/h5-7,12,14H,3-4,8-11,13H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112977740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).