2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone

C13H22N4O2 — CID 62743402

IUPAC2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2nc[nH]c2C)CC1
InChIInChI=1S/C13H22N4O2/c1-10-12(16-9-15-10)7-14-11-3-5-17(6-4-11)13(18)8-19-2/h9,11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyWLHRXDLIOQSZFE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.45
Rot. Bonds5

About 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone

2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 62743402) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID62743402
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2nc[nH]c2C)CC1
InChIInChI=1S/C13H22N4O2/c1-10-12(16-9-15-10)7-14-11-3-5-17(6-4-11)13(18)8-19-2/h9,11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyWLHRXDLIOQSZFE-UHFFFAOYSA-N
XLogP0.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone (CID 62743402) is 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCc2nc[nH]c2C)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is WLHRXDLIOQSZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-12(16-9-15-10)7-14-11-3-5-17(6-4-11)13(18)8-19-2/h9,11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 62743402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).