(3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone

C18H27Cl2N3O2 — CID 110290386

IUPAC(3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CC(C)N(CCN(C)C)C(C)C1
InChIInChI=1S/C18H27Cl2N3O2/c1-12-10-22(11-13(2)23(12)9-8-21(3)4)18(24)16-14(19)6-7-15(20)17(16)25-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyDWDAUTKRUQJMHE-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.10
Rot. Bonds5

About (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone

(3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone (PubChem CID 110290386) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
PubChem CID110290386
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name(3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CC(C)N(CCN(C)C)C(C)C1
InChIInChI=1S/C18H27Cl2N3O2/c1-12-10-22(11-13(2)23(12)9-8-21(3)4)18(24)16-14(19)6-7-15(20)17(16)25-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyDWDAUTKRUQJMHE-UHFFFAOYSA-N
XLogP3.10
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
CID 110290343
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110290369
(2-chlorophenyl)-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110290214
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
CID 110290314
3-(3-chlorophenyl)-1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110629171
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 108567728
2-[2-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110290357
1-(2-chlorophenyl)-4-[4-[3-(dimethylamino)propyl]-3,5-dimethylpiperazin-1-yl]butane-1,4-dione
CID 110629280
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]pentan-1-one
CID 110290316
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 108559370
1-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108569916

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone?
The IUPAC name of (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone (CID 110290386) is (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone.
What is the SMILES notation for (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone?
The canonical SMILES for (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone is COc1c(Cl)ccc(Cl)c1C(=O)N1CC(C)N(CCN(C)C)C(C)C1.
What is the InChIKey of (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone?
The InChIKey is DWDAUTKRUQJMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3O2/c1-12-10-22(11-13(2)23(12)9-8-21(3)4)18(24)16-14(19)6-7-15(20)17(16)25-5/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone?
(3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone has a molecular weight of 388.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 110290386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).