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

C11H17N3O — CID 141388640

IUPAC1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ncc(C)[nH]2)CC1
InChIInChI=1S/C11H17N3O/c1-8-7-12-11(13-8)10-3-5-14(6-4-10)9(2)15/h7,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyVYUOFTUTWAGKMJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.44
Rot. Bonds1

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

1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 141388640) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID141388640
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ncc(C)[nH]2)CC1
InChIInChI=1S/C11H17N3O/c1-8-7-12-11(13-8)10-3-5-14(6-4-10)9(2)15/h7,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyVYUOFTUTWAGKMJ-UHFFFAOYSA-N
XLogP1.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 141388640) is 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ncc(C)[nH]2)CC1.
What is the InChIKey of 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is VYUOFTUTWAGKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-12-11(13-8)10-3-5-14(6-4-10)9(2)15/h7,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone?
1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 141388640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).