oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C15H21N3O2 — CID 154880152

IUPACoxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccc(C2CCN(C(=O)C3CO3)CC2)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)14-16-6-3-12(17-14)11-4-7-18(8-5-11)15(19)13-9-20-13/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeyLZYUEARYPCUWMU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.70
Rot. Bonds3

About oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone

oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 154880152) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID154880152
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameoxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCC(C)c1nccc(C2CCN(C(=O)C3CO3)CC2)n1
InChIInChI=1S/C15H21N3O2/c1-10(2)14-16-6-3-12(17-14)11-4-7-18(8-5-11)15(19)13-9-20-13/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeyLZYUEARYPCUWMU-UHFFFAOYSA-N
XLogP1.70
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone
CID 166311344
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 97237980
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 75386415
2-[4-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butanoic acid
CID 116903021
1-[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110269883
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one
CID 99979692
(2R)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450964
N-[1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 90648236
(2S)-1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-ethoxypropan-1-one
CID 126450963
3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butanoic acid
CID 116899990
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
[(2S)-oxolan-2-yl]-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 126783230

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 154880152) is oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone is CC(C)c1nccc(C2CCN(C(=O)C3CO3)CC2)n1.
What is the InChIKey of oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is LZYUEARYPCUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)14-16-6-3-12(17-14)11-4-7-18(8-5-11)15(19)13-9-20-13/h3,6,10-11,13H,4-5,7-9H2,1-2H3.
What are the key properties of oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl-[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 154880152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).