3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one

C14H28N2O2 — CID 106008612

IUPAC3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one
SMILESCCNC1CCCN(CCCCOC(C)C)C1=O
InChIInChI=1S/C14H28N2O2/c1-4-15-13-8-7-10-16(14(13)17)9-5-6-11-18-12(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyXGNSGWXRYVHPMP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds8

About 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one

3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one (PubChem CID 106008612) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one
PubChem CID106008612
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one
SMILESCCNC1CCCN(CCCCOC(C)C)C1=O
InChIInChI=1S/C14H28N2O2/c1-4-15-13-8-7-10-16(14(13)17)9-5-6-11-18-12(2)3/h12-13,15H,4-11H2,1-3H3
InChIKeyXGNSGWXRYVHPMP-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one?
The IUPAC name of 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one (CID 106008612) is 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one is CCNC1CCCN(CCCCOC(C)C)C1=O.
What is the InChIKey of 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one?
The InChIKey is XGNSGWXRYVHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-15-13-8-7-10-16(14(13)17)9-5-6-11-18-12(2)3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one?
3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one has a molecular weight of 256.39 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one is sourced from PubChem (CID 106008612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).