[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone

C18H18Cl2N2O2 — CID 121247762

IUPAC[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone
SMILESCOc1cc(Cl)c(-c2ccccc2Cl)cc1C(=O)N1CCNCC1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-17-11-16(20)13(12-4-2-3-5-15(12)19)10-14(17)18(23)22-8-6-21-7-9-22/h2-5,10-11,21H,6-9H2,1H3
InChIKeyKNNOYGJTJGOJJW-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.71
Rot. Bonds3

About [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone

[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone (PubChem CID 121247762) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone
PubChem CID121247762
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone
SMILESCOc1cc(Cl)c(-c2ccccc2Cl)cc1C(=O)N1CCNCC1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-17-11-16(20)13(12-4-2-3-5-15(12)19)10-14(17)18(23)22-8-6-21-7-9-22/h2-5,10-11,21H,6-9H2,1H3
InChIKeyKNNOYGJTJGOJJW-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-chloro-5-(2-chlorophenyl)-2-methoxybenzoyl]piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 123239908
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
1,4-diazepan-1-yl-(2,5-dimethoxy-4-methylphenyl)methanone
CID 95482231
(2-methoxy-4-methyl-5-methylsulfanylphenyl)-piperazin-1-ylmethanone
CID 177216779
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
(4,5-dichloro-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996486
(4-methoxy-2,5-dimethylphenyl)-piperazin-1-ylmethanone
CID 82131195
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone (CID 121247762) is [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone is COc1cc(Cl)c(-c2ccccc2Cl)cc1C(=O)N1CCNCC1.
What is the InChIKey of [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone?
The InChIKey is KNNOYGJTJGOJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-24-17-11-16(20)13(12-4-2-3-5-15(12)19)10-14(17)18(23)22-8-6-21-7-9-22/h2-5,10-11,21H,6-9H2,1H3.
What are the key properties of [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone?
[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone has a molecular weight of 365.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 121247762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).