(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone

C18H20N2O2 — CID 95001107

IUPAC(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-22-17-10-6-5-9-15(17)18(21)20-12-11-19-13-16(20)14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3/t16-/m0/s1
InChIKeySUBCTMLXNZNNJN-INIZCTEOSA-N
MW296.37 g/mol
LogP2.48
Rot. Bonds3

About (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone

(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone (PubChem CID 95001107) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
PubChem CID95001107
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-22-17-10-6-5-9-15(17)18(21)20-12-11-19-13-16(20)14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3/t16-/m0/s1
InChIKeySUBCTMLXNZNNJN-INIZCTEOSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736417
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
(2,3-dimethoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672070
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
CID 102555243
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732907

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone (CID 95001107) is (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCNC[C@H]1c1ccccc1.
What is the InChIKey of (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The InChIKey is SUBCTMLXNZNNJN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-10-6-5-9-15(17)18(21)20-12-11-19-13-16(20)14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3/t16-/m0/s1.
What are the key properties of (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 95001107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).