(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

C21H26N2O2 — CID 29105223

IUPAC(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCOc1ccccc1[C@H](CC(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22-12-14-23(15-13-22)21(24)16-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)25-2/h3-11,19H,12-16H2,1-2H3/t19-/m1/s1
InChIKeyUEWGTIKTIFKYRO-LJQANCHMSA-N
MW338.45 g/mol
LogP2.99
Rot. Bonds5

About (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 29105223) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID29105223
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCOc1ccccc1[C@H](CC(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-22-12-14-23(15-13-22)21(24)16-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)25-2/h3-11,19H,12-16H2,1-2H3/t19-/m1/s1
InChIKeyUEWGTIKTIFKYRO-LJQANCHMSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
(3R)-3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 29021819
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 42245855
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
3-(2,6-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100789568
3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110408508
(3R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93125113
N-[2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 10029987

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (CID 29105223) is (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is COc1ccccc1[C@H](CC(=O)N1CCN(C)CC1)c1ccccc1.
What is the InChIKey of (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is UEWGTIKTIFKYRO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22-12-14-23(15-13-22)21(24)16-19(17-8-4-3-5-9-17)18-10-6-7-11-20(18)25-2/h3-11,19H,12-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
(3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 338.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 29105223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).