[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate

Name: [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₃NO₄ — CID 54507528

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

IUPAC[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate

SMILESCC(C)(C)OC(=O)CCOC(=O)N1CCCCC1

InChIInChI=1S/C13H23NO4/c1-13(2,3)18-11(15)7-10-17-12(16)14-8-5-4-6-9-14/h4-10H2,1-3H3

InChIKeyYGTWCTSFLYKUMX-UHFFFAOYSA-N

MW257.33 g/mol

LogP2.34

Rot. Bonds3

About [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate

[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate (PubChem CID 54507528) has the molecular formula C₁₃H₂₃NO₄ and a molecular weight of 257.33 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name	[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate
PubChem CID	54507528
Molecular Formula	C₁₃H₂₃NO₄
Molecular Weight	257.33 g/mol
Exact Mass	257.16
IUPAC Name	[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate
SMILES	CC(C)(C)OC(=O)CCOC(=O)N1CCCCC1
InChI	InChI=1S/C13H23NO4/c1-13(2,3)18-11(15)7-10-17-12(16)14-8-5-4-6-9-14/h4-10H2,1-3H3
InChIKey	YGTWCTSFLYKUMX-UHFFFAOYSA-N
XLogP	2.34
TPSA	55.84 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.33
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate?

The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate (CID 54507528) is [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate.

What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate?

The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate is CC(C)(C)OC(=O)CCOC(=O)N1CCCCC1.

What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate?

The InChIKey is YGTWCTSFLYKUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-11(15)7-10-17-12(16)14-8-5-4-6-9-14/h4-10H2,1-3H3.

What are the key properties of [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate?

[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] piperidine-1-carboxylate is sourced from PubChem (CID 54507528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 54507528 — identifiers, structure, computed properties (public domain)

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