3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one

C22H28N6O2 — CID 45224864

IUPAC3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
SMILESO=C1NCCN(CCc2ccccc2)C1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H28N6O2/c29-20(27-13-15-28(16-14-27)22-24-8-4-9-25-22)17-19-21(30)23-10-12-26(19)11-7-18-5-2-1-3-6-18/h1-6,8-9,19H,7,10-17H2,(H,23,30)
InChIKeyKSBNVXLYFGMNCF-UHFFFAOYSA-N
MW408.51 g/mol
LogP0.56
Rot. Bonds6

About 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one

3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one (PubChem CID 45224864) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
PubChem CID45224864
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
SMILESO=C1NCCN(CCc2ccccc2)C1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H28N6O2/c29-20(27-13-15-28(16-14-27)22-24-8-4-9-25-22)17-19-21(30)23-10-12-26(19)11-7-18-5-2-1-3-6-18/h1-6,8-9,19H,7,10-17H2,(H,23,30)
InChIKeyKSBNVXLYFGMNCF-UHFFFAOYSA-N
XLogP0.56
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one with MolForge

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Related Compounds

(3R)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 42382054
3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45175683
N-cyclopentyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 45180827
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42198802
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 4887926
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
N-(2-methylbutan-2-yl)-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 56915595
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(1-propylcyclopropyl)acetamide
CID 56912365
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95717455

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one (CID 45224864) is 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one is O=C1NCCN(CCc2ccccc2)C1CC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one?
The InChIKey is KSBNVXLYFGMNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c29-20(27-13-15-28(16-14-27)22-24-8-4-9-25-22)17-19-21(30)23-10-12-26(19)11-7-18-5-2-1-3-6-18/h1-6,8-9,19H,7,10-17H2,(H,23,30).
What are the key properties of 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one?
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one has a molecular weight of 408.51 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 45224864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).