N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

C22H26ClN7O3 — CID 29111510

IUPACN-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ncccn2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN7O3/c23-16-2-4-17(5-3-16)27-19(31)14-18-21(33)24-8-9-30(18)20(32)15-28-10-12-29(13-11-28)22-25-6-1-7-26-22/h1-7,18H,8-15H2,(H,24,33)(H,27,31)/t18-/m1/s1
InChIKeyKBGWIDJBKUFNRM-GOSISDBHSA-N
MW471.95 g/mol
LogP0.61
Rot. Bonds6

About N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (PubChem CID 29111510) has the molecular formula C22H26ClN7O3 and a molecular weight of 471.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
PubChem CID29111510
Molecular FormulaC22H26ClN7O3
Molecular Weight471.95 g/mol
Exact Mass471.18
IUPAC NameN-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ncccn2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN7O3/c23-16-2-4-17(5-3-16)27-19(31)14-18-21(33)24-8-9-30(18)20(32)15-28-10-12-29(13-11-28)22-25-6-1-7-26-22/h1-7,18H,8-15H2,(H,24,33)(H,27,31)/t18-/m1/s1
InChIKeyKBGWIDJBKUFNRM-GOSISDBHSA-N
XLogP0.61
TPSA110.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 17039250
N-(4-chlorophenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653801
N-(4-chlorophenyl)-2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29104548
N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 93488613
N-(3-methylphenyl)-2-[(2S)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 41002644
N-(4-chlorophenyl)-2-[(2S)-1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29111514
N-(4-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653794
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 17036588
2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17036604
N-(4-acetylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 17027650
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 16653835
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 43832281

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (CID 29111510) is N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2ncccn2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The InChIKey is KBGWIDJBKUFNRM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26ClN7O3/c23-16-2-4-17(5-3-16)27-19(31)14-18-21(33)24-8-9-30(18)20(32)15-28-10-12-29(13-11-28)22-25-6-1-7-26-22/h1-7,18H,8-15H2,(H,24,33)(H,27,31)/t18-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide has a molecular weight of 471.95 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 29111510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).