ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate

C21H30N2O6 — CID 34321831

IUPACethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
SMILESCCCCOc1ccc(C(=O)OCC(=O)NC2CCN(C(=O)OCC)CC2)cc1
InChIInChI=1S/C21H30N2O6/c1-3-5-14-28-18-8-6-16(7-9-18)20(25)29-15-19(24)22-17-10-12-23(13-11-17)21(26)27-4-2/h6-9,17H,3-5,10-15H2,1-2H3,(H,22,24)
InChIKeyWMVAYTSZPOPQLE-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.76
Rot. Bonds9

About ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate (PubChem CID 34321831) has the molecular formula C21H30N2O6 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
PubChem CID34321831
Molecular FormulaC21H30N2O6
Molecular Weight406.48 g/mol
Exact Mass406.21
IUPAC Nameethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
SMILESCCCCOc1ccc(C(=O)OCC(=O)NC2CCN(C(=O)OCC)CC2)cc1
InChIInChI=1S/C21H30N2O6/c1-3-5-14-28-18-8-6-16(7-9-18)20(25)29-15-19(24)22-17-10-12-23(13-11-17)21(26)27-4-2/h6-9,17H,3-5,10-15H2,1-2H3,(H,22,24)
InChIKeyWMVAYTSZPOPQLE-UHFFFAOYSA-N
XLogP2.76
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 24520834
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34870859
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 32964517
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
CID 7211666
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[[2-[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 34430459
[2-(cyclopropylamino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 2540841
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate (CID 34321831) is ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate is CCCCOc1ccc(C(=O)OCC(=O)NC2CCN(C(=O)OCC)CC2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate?
The InChIKey is WMVAYTSZPOPQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O6/c1-3-5-14-28-18-8-6-16(7-9-18)20(25)29-15-19(24)22-17-10-12-23(13-11-17)21(26)27-4-2/h6-9,17H,3-5,10-15H2,1-2H3,(H,22,24).
What are the key properties of ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 34321831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).