1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one

C15H28N2O2 — CID 61437890

IUPAC1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one
SMILESCCC(CC)CN(CC)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H28N2O2/c1-4-13(5-2)11-16(6-3)12-15(19)17-9-7-14(18)8-10-17/h13H,4-12H2,1-3H3
InChIKeyFFNYGZCJUPEBHC-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.94
Rot. Bonds7

About 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one

1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one (PubChem CID 61437890) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one
PubChem CID61437890
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one
SMILESCCC(CC)CN(CC)CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H28N2O2/c1-4-13(5-2)11-16(6-3)12-15(19)17-9-7-14(18)8-10-17/h13H,4-12H2,1-3H3
InChIKeyFFNYGZCJUPEBHC-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one (CID 61437890) is 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one is CCC(CC)CN(CC)CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one?
The InChIKey is FFNYGZCJUPEBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-13(5-2)11-16(6-3)12-15(19)17-9-7-14(18)8-10-17/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one?
1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one has a molecular weight of 268.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one is sourced from PubChem (CID 61437890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).