Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate

Name: Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₇NO₅ — CID 146599621

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACtert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate

SMILESCCOC(=O)CCOC1CCN(C(=O)OC(C)(C)C)CC1

InChIInChI=1S/C15H27NO5/c1-5-19-13(17)8-11-20-12-6-9-16(10-7-12)14(18)21-15(2,3)4/h12H,5-11H2,1-4H3

InChIKeyDCXGVNOXBJEUTA-UHFFFAOYSA-N

MW301.38 g/mol

LogP2.36

Rot. Bonds5

About Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate

Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate (PubChem CID 146599621) has the molecular formula C₁₅H₂₇NO₅ and a molecular weight of 301.38 g/mol. Its IUPAC name is tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name	Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate
PubChem CID	146599621
Molecular Formula	C₁₅H₂₇NO₅
Molecular Weight	301.38 g/mol
Exact Mass	301.19
IUPAC Name	tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate
SMILES	CCOC(=O)CCOC1CCN(C(=O)OC(C)(C)C)CC1
InChI	InChI=1S/C15H27NO5/c1-5-19-13(17)8-11-20-12-6-9-16(10-7-12)14(18)21-15(2,3)4/h12H,5-11H2,1-4H3
InChIKey	DCXGVNOXBJEUTA-UHFFFAOYSA-N
XLogP	2.36
TPSA	65.07 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.38
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate?

The IUPAC name of Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate (CID 146599621) is tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate.

What is the SMILES notation for Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate?

The canonical SMILES for Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate is CCOC(=O)CCOC1CCN(C(=O)OC(C)(C)C)CC1.

What is the InChIKey of Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate?

The InChIKey is DCXGVNOXBJEUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-5-19-13(17)8-11-20-12-6-9-16(10-7-12)14(18)21-15(2,3)4/h12H,5-11H2,1-4H3.

What are the key properties of Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate?

Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate has a molecular weight of 301.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 4-(3-ethoxy-3-oxopropoxy)piperidine-1-carboxylate is sourced from PubChem (CID 146599621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146599621 — identifiers, structure, computed properties (public domain)

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