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

C13H22N4O — CID 72915950

IUPAC1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCCn1ccnc1C1CCN(C(=O)CNC)CC1
InChIInChI=1S/C13H22N4O/c1-3-16-9-6-15-13(16)11-4-7-17(8-5-11)12(18)10-14-2/h6,9,11,14H,3-5,7-8,10H2,1-2H3
InChIKeyFFXBHJGUHSLCSO-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.83
Rot. Bonds4

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

1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 72915950) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID72915950
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCCn1ccnc1C1CCN(C(=O)CNC)CC1
InChIInChI=1S/C13H22N4O/c1-3-16-9-6-15-13(16)11-4-7-17(8-5-11)12(18)10-14-2/h6,9,11,14H,3-5,7-8,10H2,1-2H3
InChIKeyFFXBHJGUHSLCSO-UHFFFAOYSA-N
XLogP0.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone (CID 72915950) is 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone is CCn1ccnc1C1CCN(C(=O)CNC)CC1.
What is the InChIKey of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is FFXBHJGUHSLCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-16-9-6-15-13(16)11-4-7-17(8-5-11)12(18)10-14-2/h6,9,11,14H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone?
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 250.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 72915950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).