1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone

C15H26N4O2 — CID 56887424

IUPAC1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
SMILESCCc1nccn1CC(=O)N1CCCC(O)(CN(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-4-13-16-7-9-18(13)10-14(20)19-8-5-6-15(21,12-19)11-17(2)3/h7,9,21H,4-6,8,10-12H2,1-3H3
InChIKeyWFRMLMACDZLWRR-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.36
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone

1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone (PubChem CID 56887424) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
PubChem CID56887424
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
SMILESCCc1nccn1CC(=O)N1CCCC(O)(CN(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-4-13-16-7-9-18(13)10-14(20)19-8-5-6-15(21,12-19)11-17(2)3/h7,9,21H,4-6,8,10-12H2,1-3H3
InChIKeyWFRMLMACDZLWRR-UHFFFAOYSA-N
XLogP0.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone (CID 56887424) is 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone is CCc1nccn1CC(=O)N1CCCC(O)(CN(C)C)C1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The InChIKey is WFRMLMACDZLWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-13-16-7-9-18(13)10-14(20)19-8-5-6-15(21,12-19)11-17(2)3/h7,9,21H,4-6,8,10-12H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone?
1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone has a molecular weight of 294.40 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone is sourced from PubChem (CID 56887424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).