benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate

C20H29NO4 — CID 14046929

IUPACbenzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate
SMILESCCOC(=O)CCCCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H29NO4/c1-2-24-19(22)11-7-6-8-17-12-14-21(15-13-17)20(23)25-16-18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3
InChIKeyUSXHRBNQBXYHNS-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.16
Rot. Bonds8

About benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate

benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate (PubChem CID 14046929) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate
PubChem CID14046929
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Namebenzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate
SMILESCCOC(=O)CCCCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H29NO4/c1-2-24-19(22)11-7-6-8-17-12-14-21(15-13-17)20(23)25-16-18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3
InChIKeyUSXHRBNQBXYHNS-UHFFFAOYSA-N
XLogP4.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate (CID 14046929) is benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate is CCOC(=O)CCCCC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate?
The InChIKey is USXHRBNQBXYHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-2-24-19(22)11-7-6-8-17-12-14-21(15-13-17)20(23)25-16-18-9-4-3-5-10-18/h3-5,9-10,17H,2,6-8,11-16H2,1H3.
What are the key properties of benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate?
benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate has a molecular weight of 347.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-ethoxy-5-oxopentyl)piperidine-1-carboxylate is sourced from PubChem (CID 14046929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).