tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate

C18H32N2O4 — CID 146627420

IUPACtert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCCCN2OCCC2=O)CC1
InChIInChI=1S/C18H32N2O4/c1-18(2,3)24-17(22)19-12-8-15(9-13-19)7-5-4-6-11-20-16(21)10-14-23-20/h15H,4-14H2,1-3H3
InChIKeyBJGJBYRIUBLDBX-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.36
Rot. Bonds6

About tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate

tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate (PubChem CID 146627420) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate
PubChem CID146627420
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCCCCN2OCCC2=O)CC1
InChIInChI=1S/C18H32N2O4/c1-18(2,3)24-17(22)19-12-8-15(9-13-19)7-5-4-6-11-20-16(21)10-14-23-20/h15H,4-14H2,1-3H3
InChIKeyBJGJBYRIUBLDBX-UHFFFAOYSA-N
XLogP3.36
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.36
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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Related Compounds

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CID 68522837
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tert-butyl 4-[3-(4-methyl-2,3-dihydroindol-1-yl)propyl]piperidine-1-carboxylate
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tert-butyl 4-[2-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)ethyl]piperidine-1-carboxylate
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tert-butyl 4-[2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate (CID 146627420) is tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCCCCN2OCCC2=O)CC1.
What is the InChIKey of tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate?
The InChIKey is BJGJBYRIUBLDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-18(2,3)24-17(22)19-12-8-15(9-13-19)7-5-4-6-11-20-16(21)10-14-23-20/h15H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate?
tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate has a molecular weight of 340.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(3-oxo-1,2-oxazolidin-2-yl)pentyl]piperidine-1-carboxylate is sourced from PubChem (CID 146627420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).