1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one

C15H28N2O2 — CID 142407664

IUPAC1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one
SMILESCCNC1CC(OC2CCN(CC(=O)CC)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-13(18)11-17-7-5-14(6-8-17)19-15-9-12(10-15)16-4-2/h12,14-16H,3-11H2,1-2H3
InChIKeyNXCXWJOFXQRBLW-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.59
Rot. Bonds7

About 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one

1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one (PubChem CID 142407664) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one
PubChem CID142407664
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one
SMILESCCNC1CC(OC2CCN(CC(=O)CC)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-13(18)11-17-7-5-14(6-8-17)19-15-9-12(10-15)16-4-2/h12,14-16H,3-11H2,1-2H3
InChIKeyNXCXWJOFXQRBLW-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one?
The IUPAC name of 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one (CID 142407664) is 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one.
What is the SMILES notation for 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one?
The canonical SMILES for 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one is CCNC1CC(OC2CCN(CC(=O)CC)CC2)C1.
What is the InChIKey of 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one?
The InChIKey is NXCXWJOFXQRBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-13(18)11-17-7-5-14(6-8-17)19-15-9-12(10-15)16-4-2/h12,14-16H,3-11H2,1-2H3.
What are the key properties of 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one?
1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(ethylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one is sourced from PubChem (CID 142407664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).