1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone

C14H24N4O2 — CID 62352239

IUPAC1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCCn1ccnc1CNC1CCN(C(=O)COC)CC1
InChIInChI=1S/C14H24N4O2/c1-3-17-9-6-15-13(17)10-16-12-4-7-18(8-5-12)14(19)11-20-2/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyUDJIQLBASYDQPH-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.63
Rot. Bonds6

About 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone

1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone (PubChem CID 62352239) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
PubChem CID62352239
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
SMILESCCn1ccnc1CNC1CCN(C(=O)COC)CC1
InChIInChI=1S/C14H24N4O2/c1-3-17-9-6-15-13(17)10-16-12-4-7-18(8-5-12)14(19)11-20-2/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyUDJIQLBASYDQPH-UHFFFAOYSA-N
XLogP0.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone 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 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone (CID 62352239) is 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone is CCn1ccnc1CNC1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is UDJIQLBASYDQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-17-9-6-15-13(17)10-16-12-4-7-18(8-5-12)14(19)11-20-2/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone?
1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 280.37 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylimidazol-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 62352239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).