propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate

C16H24N2O3 — CID 60690618

IUPACpropan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
SMILESCOc1cccc(N2CCN(CC(=O)OC(C)C)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-13(2)21-16(19)12-17-7-9-18(10-8-17)14-5-4-6-15(11-14)20-3/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyLOFYJEBAEFYCNV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.77
Rot. Bonds5

About propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate

propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate (PubChem CID 60690618) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
PubChem CID60690618
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namepropan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
SMILESCOc1cccc(N2CCN(CC(=O)OC(C)C)CC2)c1
InChIInChI=1S/C16H24N2O3/c1-13(2)21-16(19)12-17-7-9-18(10-8-17)14-5-4-6-15(11-14)20-3/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyLOFYJEBAEFYCNV-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

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Related Compounds

propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 8592399
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9348034
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-(2-acetylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592653
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 38126163

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate (CID 60690618) is propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate is COc1cccc(N2CCN(CC(=O)OC(C)C)CC2)c1.
What is the InChIKey of propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate?
The InChIKey is LOFYJEBAEFYCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)21-16(19)12-17-7-9-18(10-8-17)14-5-4-6-15(11-14)20-3/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate?
propan-2-yl 2-[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]acetate is sourced from PubChem (CID 60690618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).