N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide

C20H31N3O2 — CID 109018076

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCN1CCN(C=O)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)17-6-5-7-18(16(3)4)20(17)21-19(25)8-9-22-10-12-23(14-24)13-11-22/h5-7,14-16H,8-13H2,1-4H3,(H,21,25)
InChIKeyRBJSYRKVGIQYBJ-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.04
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide

N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide (PubChem CID 109018076) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide
PubChem CID109018076
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCN1CCN(C=O)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)17-6-5-7-18(16(3)4)20(17)21-19(25)8-9-22-10-12-23(14-24)13-11-22/h5-7,14-16H,8-13H2,1-4H3,(H,21,25)
InChIKeyRBJSYRKVGIQYBJ-UHFFFAOYSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-benzylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109026983
N-(2-methyl-6-propan-2-ylphenyl)-3-morpholin-4-ylpropanamide
CID 47093071
4-[3-[2,6-di(propan-2-yl)anilino]propanoyl]piperazine-1-carbaldehyde
CID 109017912
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide
CID 109018090
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272767
3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109018344
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
methyl 3-[3-(4-formylpiperazin-1-yl)propanoylamino]benzoate
CID 109018056
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9243763
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide (CID 109018076) is N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCN1CCN(C=O)CC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide?
The InChIKey is RBJSYRKVGIQYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)17-6-5-7-18(16(3)4)20(17)21-19(25)8-9-22-10-12-23(14-24)13-11-22/h5-7,14-16H,8-13H2,1-4H3,(H,21,25).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-(4-formylpiperazin-1-yl)propanamide has a molecular weight of 345.49 g/mol, XLogP of 3.04, 7 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]-3-(4-formylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109018076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).