(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

C20H23ClN2O3 — CID 46533935

IUPAC(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(C)CC2c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C20H23ClN2O3/c1-22-9-10-23(17(13-22)14-7-5-4-6-8-14)20(24)15-11-16(21)19(26-3)18(12-15)25-2/h4-8,11-12,17H,9-10,13H2,1-3H3
InChIKeyOZUKYAXXXYBITF-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.49
Rot. Bonds4

About (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 46533935) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID46533935
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(C)CC2c2ccccc2)cc(Cl)c1OC
InChIInChI=1S/C20H23ClN2O3/c1-22-9-10-23(17(13-22)14-7-5-4-6-8-14)20(24)15-11-16(21)19(26-3)18(12-15)25-2/h4-8,11-12,17H,9-10,13H2,1-3H3
InChIKeyOZUKYAXXXYBITF-UHFFFAOYSA-N
XLogP3.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
3-(5-chloro-2-methoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one
CID 55875127

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 46533935) is (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is COc1cc(C(=O)N2CCN(C)CC2c2ccccc2)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is OZUKYAXXXYBITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-22-9-10-23(17(13-22)14-7-5-4-6-8-14)20(24)15-11-16(21)19(26-3)18(12-15)25-2/h4-8,11-12,17H,9-10,13H2,1-3H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 374.87 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 46533935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).