3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

C19H26N4O2 — CID 56744644

IUPAC3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-17-20-9-13-22(17)10-6-18(24)23-11-7-19(25,8-12-23)16-5-4-15(2)14-21-16/h4-5,9,13-14,25H,3,6-8,10-12H2,1-2H3
InChIKeyVRRNJYIEFMPANL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.05
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (PubChem CID 56744644) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
PubChem CID56744644
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-17-20-9-13-22(17)10-6-18(24)23-11-7-19(25,8-12-23)16-5-4-15(2)14-21-16/h4-5,9,13-14,25H,3,6-8,10-12H2,1-2H3
InChIKeyVRRNJYIEFMPANL-UHFFFAOYSA-N
XLogP2.05
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one (CID 56744644) is 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCC(O)(c2ccc(C)cn2)CC1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
The InChIKey is VRRNJYIEFMPANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-17-20-9-13-22(17)10-6-18(24)23-11-7-19(25,8-12-23)16-5-4-15(2)14-21-16/h4-5,9,13-14,25H,3,6-8,10-12H2,1-2H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56744644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).