2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone

C14H16Cl2N2O3 — CID 108567688

IUPAC2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)C(Cl)Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-11-5-3-2-4-10(11)13(19)17-6-8-18(9-7-17)14(20)12(15)16/h2-5,12H,6-9H2,1H3
InChIKeySOFROZFRVWYQFD-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.78
Rot. Bonds3

About 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone

2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 108567688) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID108567688
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)C(Cl)Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-11-5-3-2-4-10(11)13(19)17-6-8-18(9-7-17)14(20)12(15)16/h2-5,12H,6-9H2,1H3
InChIKeySOFROZFRVWYQFD-UHFFFAOYSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 48855688
(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
CID 4743493
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
4-chloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567685
1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 108544081
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone (CID 108567688) is 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone is COc1ccccc1C(=O)N1CCN(C(=O)C(Cl)Cl)CC1.
What is the InChIKey of 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is SOFROZFRVWYQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-21-11-5-3-2-4-10(11)13(19)17-6-8-18(9-7-17)14(20)12(15)16/h2-5,12H,6-9H2,1H3.
What are the key properties of 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone?
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 331.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108567688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).