(2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one

C16H24N2O3 — CID 9181761

IUPAC(2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-17-9-11-18(12-10-17)16(19)13(2)21-15-8-6-5-7-14(15)20-3/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyRKKZXZJYVWJWMR-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.63
Rot. Bonds5

About (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one

(2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one (PubChem CID 9181761) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
PubChem CID9181761
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1
InChIInChI=1S/C16H24N2O3/c1-4-17-9-11-18(12-10-17)16(19)13(2)21-15-8-6-5-7-14(15)20-3/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1
InChIKeyRKKZXZJYVWJWMR-CYBMUJFWSA-N
XLogP1.63
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)butan-1-one
CID 9173128
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 28839488
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
2-(2-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24705201
2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24674832
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
CID 40696539
(2S)-1-(4-benzylpiperazin-1-yl)-2-(2-methoxy-4-methylphenoxy)propan-1-one
CID 7694660
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 40746157
(2S)-1-(4-ethylpiperazin-1-yl)-2-(4-methoxy-2-nitrophenoxy)propan-1-one
CID 31475648
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 28551833

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one?
The IUPAC name of (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one (CID 9181761) is (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one is CCN1CCN(C(=O)[C@@H](C)Oc2ccccc2OC)CC1.
What is the InChIKey of (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one?
The InChIKey is RKKZXZJYVWJWMR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-9-11-18(12-10-17)16(19)13(2)21-15-8-6-5-7-14(15)20-3/h5-8,13H,4,9-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one?
(2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 9181761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).