(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one

C16H24N2O2 — CID 124571039

IUPAC(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
SMILESCOc1ccccc1[C@H](C)CC(=O)N1CCNC[C@H]1C
InChIInChI=1S/C16H24N2O2/c1-12(14-6-4-5-7-15(14)20-3)10-16(19)18-9-8-17-11-13(18)2/h4-7,12-13,17H,8-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyIKWJTXKCHJCEBG-CHWSQXEVSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds4

About (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one

(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one (PubChem CID 124571039) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
PubChem CID124571039
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
SMILESCOc1ccccc1[C@H](C)CC(=O)N1CCNC[C@H]1C
InChIInChI=1S/C16H24N2O2/c1-12(14-6-4-5-7-15(14)20-3)10-16(19)18-9-8-17-11-13(18)2/h4-7,12-13,17H,8-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyIKWJTXKCHJCEBG-CHWSQXEVSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119469956
(3S)-1-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124570764
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
(3R)-3-(2-methoxyphenyl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95329051
2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119471869
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
3-(3-fluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 120735267
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553500

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one (CID 124571039) is (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one is COc1ccccc1[C@H](C)CC(=O)N1CCNC[C@H]1C.
What is the InChIKey of (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one?
The InChIKey is IKWJTXKCHJCEBG-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(14-6-4-5-7-15(14)20-3)10-16(19)18-9-8-17-11-13(18)2/h4-7,12-13,17H,8-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one?
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one is sourced from PubChem (CID 124571039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).