propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate

C16H24N2O3 — CID 60688983

IUPACpropan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
SMILESCOc1ccc(N2CCN(CC(=O)OC(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-13(2)21-16(19)12-17-8-10-18(11-9-17)14-4-6-15(20-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyNWLVFHYEBYKXDJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.77
Rot. Bonds5

About propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate

propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate (PubChem CID 60688983) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
PubChem CID60688983
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namepropan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
SMILESCOc1ccc(N2CCN(CC(=O)OC(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-13(2)21-16(19)12-17-8-10-18(11-9-17)14-4-6-15(20-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyNWLVFHYEBYKXDJ-UHFFFAOYSA-N
XLogP1.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948
2-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]acetamide
CID 69033368
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2,3-dimethylbutan-2-ol
CID 114447501
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate (CID 60688983) is propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate is COc1ccc(N2CCN(CC(=O)OC(C)C)CC2)cc1.
What is the InChIKey of propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate?
The InChIKey is NWLVFHYEBYKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)21-16(19)12-17-8-10-18(11-9-17)14-4-6-15(20-3)7-5-14/h4-7,13H,8-12H2,1-3H3.
What are the key properties of propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate?
propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate has a molecular weight of 292.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate is sourced from PubChem (CID 60688983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).