(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one

C18H25N5O2 — CID 95129359

IUPAC(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
SMILESCC(C)c1nccn1[C@H](C)C(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H25N5O2/c1-13(2)16-19-9-12-23(16)14(3)17(24)22-10-5-15(6-11-22)25-18-20-7-4-8-21-18/h4,7-9,12-15H,5-6,10-11H2,1-3H3/t14-/m1/s1
InChIKeyKIURYDWIRJGHGJ-CQSZACIVSA-N
MW343.43 g/mol
LogP2.43
Rot. Bonds5

About (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one

(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one (PubChem CID 95129359) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
PubChem CID95129359
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
SMILESCC(C)c1nccn1[C@H](C)C(=O)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C18H25N5O2/c1-13(2)16-19-9-12-23(16)14(3)17(24)22-10-5-15(6-11-22)25-18-20-7-4-8-21-18/h4,7-9,12-15H,5-6,10-11H2,1-3H3/t14-/m1/s1
InChIKeyKIURYDWIRJGHGJ-CQSZACIVSA-N
XLogP2.43
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one (CID 95129359) is (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one is CC(C)c1nccn1[C@H](C)C(=O)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The InChIKey is KIURYDWIRJGHGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)16-19-9-12-23(16)14(3)17(24)22-10-5-15(6-11-22)25-18-20-7-4-8-21-18/h4,7-9,12-15H,5-6,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 95129359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).