[1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate

C15H27NO3 — CID 90419634

IUPAC[1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate
SMILESCC(=O)CCC1(OC(C)=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-12(17)6-7-15(19-13(2)18)8-10-16(11-9-15)14(3,4)5/h6-11H2,1-5H3
InChIKeyLGAQZASCUAAXCR-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.55
Rot. Bonds4

About [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate

[1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate (PubChem CID 90419634) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate
PubChem CID90419634
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name[1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate
SMILESCC(=O)CCC1(OC(C)=O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-12(17)6-7-15(19-13(2)18)8-10-16(11-9-15)14(3,4)5/h6-11H2,1-5H3
InChIKeyLGAQZASCUAAXCR-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate?
The IUPAC name of [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate (CID 90419634) is [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate.
What is the SMILES notation for [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate?
The canonical SMILES for [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate is CC(=O)CCC1(OC(C)=O)CCN(C(C)(C)C)CC1.
What is the InChIKey of [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate?
The InChIKey is LGAQZASCUAAXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(17)6-7-15(19-13(2)18)8-10-16(11-9-15)14(3,4)5/h6-11H2,1-5H3.
What are the key properties of [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate?
[1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate has a molecular weight of 269.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-4-(3-oxobutyl)piperidin-4-yl] acetate is sourced from PubChem (CID 90419634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).