2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one

C18H28N2O2 — CID 82263426

IUPAC2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C)cc1C(=O)C(C)CN1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-4-11-22-17-6-5-14(2)12-16(17)18(21)15(3)13-20-9-7-19-8-10-20/h5-6,12,15,19H,4,7-11,13H2,1-3H3
InChIKeyMTQIMKIVCDXUKP-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.51
Rot. Bonds7

About 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one

2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82263426) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82263426
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCCCOc1ccc(C)cc1C(=O)C(C)CN1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-4-11-22-17-6-5-14(2)12-16(17)18(21)15(3)13-20-9-7-19-8-10-20/h5-6,12,15,19H,4,7-11,13H2,1-3H3
InChIKeyMTQIMKIVCDXUKP-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
1-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266429
1-(2-chloro-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82267669
3-methyl-4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933523
1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
4-(5-methyl-2-propoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933517
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
1-[2-methoxy-4-(trifluoromethyl)phenyl]-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82262939
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(5-tert-butyl-2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82264142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82263426) is 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one is CCCOc1ccc(C)cc1C(=O)C(C)CN1CCNCC1.
What is the InChIKey of 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is MTQIMKIVCDXUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-11-22-17-6-5-14(2)12-16(17)18(21)15(3)13-20-9-7-19-8-10-20/h5-6,12,15,19H,4,7-11,13H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one?
2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-2-propoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82263426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).