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

C13H23NO4 — CID 54507528

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 CID54507528
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[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
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 58022752
Tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate
CID 174427847
tert-butyl 4-[(2R)-4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl]oxypiperidine-1-carboxylate
CID 99770770
tert-butyl 4-[(2S)-4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl]oxypiperidine-1-carboxylate
CID 99770771
tert-butyl 4-(4-Ethoxy-1,1,1-trifluoro-4-oxobutan-2-yloxy)piperidine-1-carboxylate
CID 121521907
Ethyl 2-(tert-butylperoxymethyl)-3-piperidin-1-ylpropanoate
CID 11000688
Tert-butyl 2-acetyloxypiperidine-1-carboxylate
CID 10514377
1,1-Dimethylethyl 4-[(1-oxopropoxy)methyl]-1-piperidinecarboxylate
CID 11219472
2-[3-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]acetic acid
CID 15485137
Tert-butyl 4-butanoyloxypiperidine-1-carboxylate
CID 17781795
Tert-butyl 4-acetoxypiperidine-1-carboxylate
CID 21660336
4-(3-methoxypropyloxy)-N-t-butyloxycarbonylpiperidine
CID 22494667

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).