2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide

C25H33N5O2 — CID 30863583

IUPAC2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1)Nc1ccccc1
InChIInChI=1S/C25H33N5O2/c31-24(26-23-9-5-2-6-10-23)20-28-15-17-30(18-16-28)25(32)21-29-13-11-27(12-14-29)19-22-7-3-1-4-8-22/h1-10H,11-21H2,(H,26,31)
InChIKeyAUHBCGNQIUDHMU-UHFFFAOYSA-N
MW435.57 g/mol
LogP1.59
Rot. Bonds7

About 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 30863583) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID30863583
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1)Nc1ccccc1
InChIInChI=1S/C25H33N5O2/c31-24(26-23-9-5-2-6-10-23)20-28-15-17-30(18-16-28)25(32)21-29-13-11-27(12-14-29)19-22-7-3-1-4-8-22/h1-10H,11-21H2,(H,26,31)
InChIKeyAUHBCGNQIUDHMU-UHFFFAOYSA-N
XLogP1.59
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
4-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-methylbenzamide
CID 55409462
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
[4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]phenyl] acetate
CID 71858448
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
2-[4-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31148775

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide (CID 30863583) is 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is AUHBCGNQIUDHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c31-24(26-23-9-5-2-6-10-23)20-28-15-17-30(18-16-28)25(32)21-29-13-11-27(12-14-29)19-22-7-3-1-4-8-22/h1-10H,11-21H2,(H,26,31).
What are the key properties of 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 435.57 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 30863583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).