1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

C19H23ClN4O — CID 139532120

IUPAC1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)N2CCN(c3nccc(Cl)n3)CC2)cc1
InChIInChI=1S/C19H23ClN4O/c1-14(2)16-5-3-15(4-6-16)13-18(25)23-9-11-24(12-10-23)19-21-8-7-17(20)22-19/h3-8,14H,9-13H2,1-2H3
InChIKeyRIJMEMICGLQMGX-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.14
Rot. Bonds4

About 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 139532120) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
PubChem CID139532120
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)N2CCN(c3nccc(Cl)n3)CC2)cc1
InChIInChI=1S/C19H23ClN4O/c1-14(2)16-5-3-15(4-6-16)13-18(25)23-9-11-24(12-10-23)19-21-8-7-17(20)22-19/h3-8,14H,9-13H2,1-2H3
InChIKeyRIJMEMICGLQMGX-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 60550304
2-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110766851
1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 41362811
1-[4-[4-(2-chloroanilino)pyrimidin-2-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 134799699
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
3-(4-propan-2-ylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030431
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-propan-2-ylbenzoate
CID 9019880
furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898704
1-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 41363046
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 41362779

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (CID 139532120) is 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)N2CCN(c3nccc(Cl)n3)CC2)cc1.
What is the InChIKey of 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is RIJMEMICGLQMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14(2)16-5-3-15(4-6-16)13-18(25)23-9-11-24(12-10-23)19-21-8-7-17(20)22-19/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?
1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 358.87 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 139532120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).