N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C20H25N5O2 — CID 108531684

IUPACN-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H25N5O2/c1-3-15(2)16-7-4-5-8-17(16)23-18(26)19(27)24-11-13-25(14-12-24)20-21-9-6-10-22-20/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyJIEKJFHDVFGTPM-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.28
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108531684) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID108531684
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H25N5O2/c1-3-15(2)16-7-4-5-8-17(16)23-18(26)19(27)24-11-13-25(14-12-24)20-21-9-6-10-22-20/h4-10,15H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyJIEKJFHDVFGTPM-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108530365
N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108532341
N-(2-butan-2-ylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531813
N-[2,6-di(propan-2-yl)phenyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108986194
N-(2-cyanophenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108501653
N-(2-amino-5-methylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108531692
(4-butan-2-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110761276
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505764
ethyl 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
CID 108500168
N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 125164251
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 108531684) is N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCC(C)c1ccccc1NC(=O)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is JIEKJFHDVFGTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-15(2)16-7-4-5-8-17(16)23-18(26)19(27)24-11-13-25(14-12-24)20-21-9-6-10-22-20/h4-10,15H,3,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108531684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).