tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate

C17H28N2O5 — CID 122153843

IUPACtert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)CC1(NC(=O)C2CCCC(=O)N2)CCOCC1
InChIInChI=1S/C17H28N2O5/c1-16(2,3)24-14(21)11-17(7-9-23-10-8-17)19-15(22)12-5-4-6-13(20)18-12/h12H,4-11H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyLSYANZSQACIUHZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.05
Rot. Bonds4

About tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate

tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate (PubChem CID 122153843) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate
PubChem CID122153843
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Nametert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)CC1(NC(=O)C2CCCC(=O)N2)CCOCC1
InChIInChI=1S/C17H28N2O5/c1-16(2,3)24-14(21)11-17(7-9-23-10-8-17)19-15(22)12-5-4-6-13(20)18-12/h12H,4-11H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyLSYANZSQACIUHZ-UHFFFAOYSA-N
XLogP1.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate (CID 122153843) is tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate is CC(C)(C)OC(=O)CC1(NC(=O)C2CCCC(=O)N2)CCOCC1.
What is the InChIKey of tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate?
The InChIKey is LSYANZSQACIUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-16(2,3)24-14(21)11-17(7-9-23-10-8-17)19-15(22)12-5-4-6-13(20)18-12/h12H,4-11H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate?
tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate has a molecular weight of 340.42 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[(6-oxopiperidine-2-carbonyl)amino]oxan-4-yl]acetate is sourced from PubChem (CID 122153843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).