2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone

C16H31N3O2 — CID 114507702

IUPAC2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCCNC1CCN(CC(=O)N2CCOCC2)CC1CC
InChIInChI=1S/C16H31N3O2/c1-3-6-17-15-5-7-18(12-14(15)4-2)13-16(20)19-8-10-21-11-9-19/h14-15,17H,3-13H2,1-2H3
InChIKeyUXKWMHKKNAIJPH-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.95
Rot. Bonds6

About 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone

2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 114507702) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID114507702
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCCNC1CCN(CC(=O)N2CCOCC2)CC1CC
InChIInChI=1S/C16H31N3O2/c1-3-6-17-15-5-7-18(12-14(15)4-2)13-16(20)19-8-10-21-11-9-19/h14-15,17H,3-13H2,1-2H3
InChIKeyUXKWMHKKNAIJPH-UHFFFAOYSA-N
XLogP0.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone 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-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone (CID 114507702) is 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone is CCCNC1CCN(CC(=O)N2CCOCC2)CC1CC.
What is the InChIKey of 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is UXKWMHKKNAIJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-6-17-15-5-7-18(12-14(15)4-2)13-16(20)19-8-10-21-11-9-19/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 297.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(propylamino)piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 114507702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).