1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone

C23H24N4O — CID 112880138

IUPAC1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(N3CCCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O/c1-17(28)18-10-12-20(13-11-18)24-21-16-22(27-14-6-3-7-15-27)26-23(25-21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,25,26)
InChIKeyJYOZPIPHEMVTPO-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.08
Rot. Bonds5

About 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone

1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone (PubChem CID 112880138) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
PubChem CID112880138
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(N3CCCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O/c1-17(28)18-10-12-20(13-11-18)24-21-16-22(27-14-6-3-7-15-27)26-23(25-21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,25,26)
InChIKeyJYOZPIPHEMVTPO-UHFFFAOYSA-N
XLogP5.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112881688
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
2-phenyl-6-piperidin-1-yl-N-propan-2-ylpyrimidin-4-amine
CID 112879295
3-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112880150
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112880026
sulfanyl 4-[[6-(4-hydroxypiperidin-1-yl)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 89021802
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748367
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
3-[[6-(4-acetylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881144
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone (CID 112880138) is 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2cc(N3CCCCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone?
The InChIKey is JYOZPIPHEMVTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17(28)18-10-12-20(13-11-18)24-21-16-22(27-14-6-3-7-15-27)26-23(25-21)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,24,25,26).
What are the key properties of 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone?
1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 112880138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).