1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C16H27N3O — CID 56724024

IUPAC1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1nccn1CC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H27N3O/c1-5-14-17-8-11-19(14)12-13-6-9-18(10-7-13)15(20)16(2,3)4/h8,11,13H,5-7,9-10,12H2,1-4H3
InChIKeyAFYGWVSJVCFSNP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.73
Rot. Bonds3

About 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 56724024) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID56724024
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1nccn1CC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H27N3O/c1-5-14-17-8-11-19(14)12-13-6-9-18(10-7-13)15(20)16(2,3)4/h8,11,13H,5-7,9-10,12H2,1-4H3
InChIKeyAFYGWVSJVCFSNP-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 56724024) is 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CCc1nccn1CC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AFYGWVSJVCFSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-14-17-8-11-19(14)12-13-6-9-18(10-7-13)15(20)16(2,3)4/h8,11,13H,5-7,9-10,12H2,1-4H3.
What are the key properties of 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 277.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 56724024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).