N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide

C24H39N3O3 — CID 155249167

IUPACN-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)c1ccc(N2CCN(CCCCCCCNC(=O)COC(C)C)CC2)cc1
InChIInChI=1S/C24H39N3O3/c1-20(2)30-19-24(29)25-13-7-5-4-6-8-14-26-15-17-27(18-16-26)23-11-9-22(10-12-23)21(3)28/h9-12,20H,4-8,13-19H2,1-3H3,(H,25,29)
InChIKeyRQNBFNQRGVZJRE-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.50
Rot. Bonds13

About N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide

N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide (PubChem CID 155249167) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide
PubChem CID155249167
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC NameN-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)c1ccc(N2CCN(CCCCCCCNC(=O)COC(C)C)CC2)cc1
InChIInChI=1S/C24H39N3O3/c1-20(2)30-19-24(29)25-13-7-5-4-6-8-14-26-15-17-27(18-16-26)23-11-9-22(10-12-23)21(3)28/h9-12,20H,4-8,13-19H2,1-3H3,(H,25,29)
InChIKeyRQNBFNQRGVZJRE-UHFFFAOYSA-N
XLogP3.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8591460
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 112686819
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7891748
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
4-(4-hexylpiperazin-1-yl)benzoic acid
CID 167523734

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide (CID 155249167) is N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide is CC(=O)c1ccc(N2CCN(CCCCCCCNC(=O)COC(C)C)CC2)cc1.
What is the InChIKey of N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide?
The InChIKey is RQNBFNQRGVZJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-20(2)30-19-24(29)25-13-7-5-4-6-8-14-26-15-17-27(18-16-26)23-11-9-22(10-12-23)21(3)28/h9-12,20H,4-8,13-19H2,1-3H3,(H,25,29).
What are the key properties of N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide?
N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide has a molecular weight of 417.59 g/mol, XLogP of 3.50, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 155249167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).