N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide

C24H33N3O — CID 4797794

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-18(2)21-11-8-12-22(19(3)4)24(21)25-23(28)17-26-13-15-27(16-14-26)20-9-6-5-7-10-20/h5-12,18-19H,13-17H2,1-4H3,(H,25,28)
InChIKeyQCLCHYRLEFVDJC-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.69
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 4797794) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID4797794
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-18(2)21-11-8-12-22(19(3)4)24(21)25-23(28)17-26-13-15-27(16-14-26)20-9-6-5-7-10-20/h5-12,18-19H,13-17H2,1-4H3,(H,25,28)
InChIKeyQCLCHYRLEFVDJC-UHFFFAOYSA-N
XLogP4.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 2653936
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272767
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732
2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 86885522

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 4797794) is N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is QCLCHYRLEFVDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-18(2)21-11-8-12-22(19(3)4)24(21)25-23(28)17-26-13-15-27(16-14-26)20-9-6-5-7-10-20/h5-12,18-19H,13-17H2,1-4H3,(H,25,28).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 379.55 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4797794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).