2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one

C19H26N4O — CID 72909196

IUPAC2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C19H26N4O/c1-14(2)18-21-10-13-23(18)15(3)19(24)22-11-6-17(7-12-22)16-4-8-20-9-5-16/h4-5,8-10,13-15,17H,6-7,11-12H2,1-3H3
InChIKeyLALGCLFWRBKTIC-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one

2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 72909196) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID72909196
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C19H26N4O/c1-14(2)18-21-10-13-23(18)15(3)19(24)22-11-6-17(7-12-22)16-4-8-20-9-5-16/h4-5,8-10,13-15,17H,6-7,11-12H2,1-3H3
InChIKeyLALGCLFWRBKTIC-UHFFFAOYSA-N
XLogP3.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one (CID 72909196) is 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one is CC(C)c1nccn1C(C)C(=O)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is LALGCLFWRBKTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)18-21-10-13-23(18)15(3)19(24)22-11-6-17(7-12-22)16-4-8-20-9-5-16/h4-5,8-10,13-15,17H,6-7,11-12H2,1-3H3.
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one?
2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 72909196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).