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

C18H25N5O2 — CID 95129358

IUPAC(2S)-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-/m0/s1
InChIKeyKIURYDWIRJGHGJ-AWEZNQCLSA-N
MW343.43 g/mol
LogP2.43
Rot. Bonds5

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

(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one (PubChem CID 95129358) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
PubChem CID95129358
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(2S)-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-/m0/s1
InChIKeyKIURYDWIRJGHGJ-AWEZNQCLSA-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

Analyze (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 95129359
2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 72909196
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 72937551
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 95140403
(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97277363
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 97210714
2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136845342
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 70742561
(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558657
3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 86285968
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 146043279
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one (CID 95129358) is (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-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 (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
The InChIKey is KIURYDWIRJGHGJ-AWEZNQCLSA-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-/m0/s1.
What are the key properties of (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one?
(2S)-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 (2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 95129358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).