N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

C25H30N6O4 — CID 17027650

IUPACN-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C25H30N6O4/c1-18(32)19-5-7-20(8-6-19)28-23(33)16-21-25(35)27-10-11-31(21)24(34)17-29-12-14-30(15-13-29)22-4-2-3-9-26-22/h2-9,21H,10-17H2,1H3,(H,27,35)(H,28,33)
InChIKeyIOZWPQTUIONXMZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP0.76
Rot. Bonds7

About N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (PubChem CID 17027650) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
PubChem CID17027650
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC NameN-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C25H30N6O4/c1-18(32)19-5-7-20(8-6-19)28-23(33)16-21-25(35)27-10-11-31(21)24(34)17-29-12-14-30(15-13-29)22-4-2-3-9-26-22/h2-9,21H,10-17H2,1H3,(H,27,35)(H,28,33)
InChIKeyIOZWPQTUIONXMZ-UHFFFAOYSA-N
XLogP0.76
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 17036588
N-(3,5-dimethylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 43854548
N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 17039250
N-(2,4-dimethylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 43832398
N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 29111510
N-(4-acetamidophenyl)-2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43864608
N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 93488613
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 16653835
N-(3-methylphenyl)-2-[(2S)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 41002644
2-[(2R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
CID 29111560
N-(4-fluorophenyl)-2-[1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17039233
2-[(2R)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 51625364

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (CID 17027650) is N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is CC(=O)c1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The InChIKey is IOZWPQTUIONXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-18(32)19-5-7-20(8-6-19)28-23(33)16-21-25(35)27-10-11-31(21)24(34)17-29-12-14-30(15-13-29)22-4-2-3-9-26-22/h2-9,21H,10-17H2,1H3,(H,27,35)(H,28,33).
What are the key properties of N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 17027650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).