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

C13H22N4O2 — CID 55065018

IUPAC2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2nccn2C)CC1
InChIInChI=1S/C13H22N4O2/c1-16-8-5-14-12(16)9-15-11-3-6-17(7-4-11)13(18)10-19-2/h5,8,11,15H,3-4,6-7,9-10H2,1-2H3
InChIKeyRSPJZWXYVGIRCE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.15
Rot. Bonds5

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

2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone (PubChem CID 55065018) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone
PubChem CID55065018
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2nccn2C)CC1
InChIInChI=1S/C13H22N4O2/c1-16-8-5-14-12(16)9-15-11-3-6-17(7-4-11)13(18)10-19-2/h5,8,11,15H,3-4,6-7,9-10H2,1-2H3
InChIKeyRSPJZWXYVGIRCE-UHFFFAOYSA-N
XLogP0.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone (CID 55065018) is 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCc2nccn2C)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is RSPJZWXYVGIRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16-8-5-14-12(16)9-15-11-3-6-17(7-4-11)13(18)10-19-2/h5,8,11,15H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(1-methylimidazol-2-yl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 55065018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).