2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

C17H27N3O2 — CID 8587824

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14(2)12-18-17(21)13-19-8-10-20(11-9-19)15-4-6-16(22-3)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyZCJCNEQNGXJEGY-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.59
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 8587824) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID8587824
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14(2)12-18-17(21)13-19-8-10-20(11-9-19)15-4-6-16(22-3)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyZCJCNEQNGXJEGY-UHFFFAOYSA-N
XLogP1.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8703887
propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971255
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46056147
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 8587824) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is COc1ccc(N2CCN(CC(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is ZCJCNEQNGXJEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)12-18-17(21)13-19-8-10-20(11-9-19)15-4-6-16(22-3)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 8587824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).