2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone

C18H28N2O2 — CID 82264037

IUPAC2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CN2CCNCC2)cc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-4-11-22-18-6-5-15(12-16(18)14(2)3)17(21)13-20-9-7-19-8-10-20/h5-6,12,14,19H,4,7-11,13H2,1-3H3
InChIKeyRVOQKWQDCHPYPQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.69
Rot. Bonds7

About 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone

2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone (PubChem CID 82264037) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
PubChem CID82264037
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CN2CCNCC2)cc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-4-11-22-18-6-5-15(12-16(18)14(2)3)17(21)13-20-9-7-19-8-10-20/h5-6,12,14,19H,4,7-11,13H2,1-3H3
InChIKeyRVOQKWQDCHPYPQ-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylethanone
CID 82265834
3-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264022
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
2-(4-methylpiperidin-1-yl)-1-(3-methyl-4-propoxyphenyl)ethanone
CID 82051417
1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264084
2-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264024
ethyl 2-oxo-2-(3-propan-2-yl-4-propoxyphenyl)acetate
CID 82554095
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
2-piperazin-1-yl-1-(4-propan-2-yloxyphenyl)ethanone
CID 82263317
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone?
The IUPAC name of 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone (CID 82264037) is 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone?
The canonical SMILES for 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CN2CCNCC2)cc1C(C)C.
What is the InChIKey of 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone?
The InChIKey is RVOQKWQDCHPYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-11-22-18-6-5-15(12-16(18)14(2)3)17(21)13-20-9-7-19-8-10-20/h5-6,12,14,19H,4,7-11,13H2,1-3H3.
What are the key properties of 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone?
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone is sourced from PubChem (CID 82264037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).