(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

C20H24N2O3 — CID 55452857

IUPAC(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C)CC2c2ccccc2)c1OC
InChIInChI=1S/C20H24N2O3/c1-21-12-13-22(17(14-21)15-8-5-4-6-9-15)20(23)16-10-7-11-18(24-2)19(16)25-3/h4-11,17H,12-14H2,1-3H3
InChIKeyZIRLRIZUDAMFJA-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.83
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 55452857) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID55452857
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C)CC2c2ccccc2)c1OC
InChIInChI=1S/C20H24N2O3/c1-21-12-13-22(17(14-21)15-8-5-4-6-9-15)20(23)16-10-7-11-18(24-2)19(16)25-3/h4-11,17H,12-14H2,1-3H3
InChIKeyZIRLRIZUDAMFJA-UHFFFAOYSA-N
XLogP2.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46533935
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
4-[1-(1H-indole-4-carbonyl)-4-methylpiperazin-2-yl]benzoic acid
CID 166460846
(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 72863235
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 95976202
(5-bromo-2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 112802623
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 72939151
2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 112685654

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 55452857) is (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is COc1cccc(C(=O)N2CCN(C)CC2c2ccccc2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is ZIRLRIZUDAMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21-12-13-22(17(14-21)15-8-5-4-6-9-15)20(23)16-10-7-11-18(24-2)19(16)25-3/h4-11,17H,12-14H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 55452857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).