2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone

C16H30N2O2 — CID 103161306

IUPAC2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)CC2CC(OCC)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-7-17-14-5-8-18(9-6-14)16(19)12-13-10-15(11-13)20-4-2/h13-15,17H,3-12H2,1-2H3
InChIKeyRLBXKTCHJNOGBH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds7

About 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone

2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone (PubChem CID 103161306) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone
PubChem CID103161306
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)CC2CC(OCC)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-7-17-14-5-8-18(9-6-14)16(19)12-13-10-15(11-13)20-4-2/h13-15,17H,3-12H2,1-2H3
InChIKeyRLBXKTCHJNOGBH-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone (CID 103161306) is 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone is CCCNC1CCN(C(=O)CC2CC(OCC)C2)CC1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The InChIKey is RLBXKTCHJNOGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-7-17-14-5-8-18(9-6-14)16(19)12-13-10-15(11-13)20-4-2/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-[4-(propylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 103161306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).