(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one

C24H32N2O3 — CID 94055687

IUPAC(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1
InChIInChI=1S/C24H32N2O3/c1-17(2)20-11-10-18(3)16-23(20)29-19(4)24(27)26-14-12-25(13-15-26)21-8-6-7-9-22(21)28-5/h6-11,16-17,19H,12-15H2,1-5H3/t19-/m1/s1
InChIKeyQQKNZHJFJUYYAO-LJQANCHMSA-N
MW396.53 g/mol
LogP4.24
Rot. Bonds6

About (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one

(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one (PubChem CID 94055687) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
PubChem CID94055687
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1
InChIInChI=1S/C24H32N2O3/c1-17(2)20-11-10-18(3)16-23(20)29-19(4)24(27)26-14-12-25(13-15-26)21-8-6-7-9-22(21)28-5/h6-11,16-17,19H,12-15H2,1-5H3/t19-/m1/s1
InChIKeyQQKNZHJFJUYYAO-LJQANCHMSA-N
XLogP4.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 17383685
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 55918183
2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133184610
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119250789
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one
CID 28633499
6-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174445
1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperazine;oxalic acid
CID 2961431
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 28839488
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 108544081

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one (CID 94055687) is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one is COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1.
What is the InChIKey of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one?
The InChIKey is QQKNZHJFJUYYAO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(2)20-11-10-18(3)16-23(20)29-19(4)24(27)26-14-12-25(13-15-26)21-8-6-7-9-22(21)28-5/h6-11,16-17,19H,12-15H2,1-5H3/t19-/m1/s1.
What are the key properties of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one?
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one has a molecular weight of 396.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 94055687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).