[4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate

C17H32N2O3 — CID 20792525

IUPAC[4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate
SMILESCCNC(=O)CCC1CC(C)(C)N(OC(C)=O)C(C)(C)C1C
InChIInChI=1S/C17H32N2O3/c1-8-18-15(21)10-9-14-11-16(4,5)19(22-13(3)20)17(6,7)12(14)2/h12,14H,8-11H2,1-7H3,(H,18,21)
InChIKeyXBVNNVYRBMNIIC-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.90
Rot. Bonds5

About [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate

[4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate (PubChem CID 20792525) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate.

Molecular Properties

Compound Name[4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate
PubChem CID20792525
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name[4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate
SMILESCCNC(=O)CCC1CC(C)(C)N(OC(C)=O)C(C)(C)C1C
InChIInChI=1S/C17H32N2O3/c1-8-18-15(21)10-9-14-11-16(4,5)19(22-13(3)20)17(6,7)12(14)2/h12,14H,8-11H2,1-7H3,(H,18,21)
InChIKeyXBVNNVYRBMNIIC-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate?
The IUPAC name of [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate (CID 20792525) is [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate.
What is the SMILES notation for [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate?
The canonical SMILES for [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate is CCNC(=O)CCC1CC(C)(C)N(OC(C)=O)C(C)(C)C1C.
What is the InChIKey of [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate?
The InChIKey is XBVNNVYRBMNIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-8-18-15(21)10-9-14-11-16(4,5)19(22-13(3)20)17(6,7)12(14)2/h12,14H,8-11H2,1-7H3,(H,18,21).
What are the key properties of [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate?
[4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate has a molecular weight of 312.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(ethylamino)-3-oxopropyl]-2,2,3,6,6-pentamethylpiperidin-1-yl] acetate is sourced from PubChem (CID 20792525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).