[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

C19H20Cl2N2O3 — CID 113080341

IUPAC[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-25-17-7-13(8-18(12-17)26-2)19(24)23-5-3-22(4-6-23)16-10-14(20)9-15(21)11-16/h7-12H,3-6H2,1-2H3
InChIKeyLBXDBGHYAWTWDU-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.97
Rot. Bonds4

About [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone

[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 113080341) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID113080341
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-25-17-7-13(8-18(12-17)26-2)19(24)23-5-3-22(4-6-23)16-10-14(20)9-15(21)11-16/h7-12H,3-6H2,1-2H3
InChIKeyLBXDBGHYAWTWDU-UHFFFAOYSA-N
XLogP3.97
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 110357981
[4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 17335532
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975160
3,4-dichloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17127951
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 108545116
2-amino-5-[4-(3,5-dimethoxyphenyl)piperazine-1-carbonyl]-3-fluorobenzonitrile
CID 11625164
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 7292437

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (CID 113080341) is [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1.
What is the InChIKey of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is LBXDBGHYAWTWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-25-17-7-13(8-18(12-17)26-2)19(24)23-5-3-22(4-6-23)16-10-14(20)9-15(21)11-16/h7-12H,3-6H2,1-2H3.
What are the key properties of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone?
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 395.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 113080341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).