[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone

C23H26Cl2N2O4 — CID 33141139

IUPAC[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OCC
InChIInChI=1S/C23H26Cl2N2O4/c1-3-12-31-21-19(25)14-17(15-20(21)30-4-2)23(29)27-10-8-26(9-11-27)22(28)16-6-5-7-18(24)13-16/h5-7,13-15H,3-4,8-12H2,1-2H3
InChIKeyFJPLTTDPVHPSTG-UHFFFAOYSA-N
MW465.38 g/mol
LogP4.78
Rot. Bonds7

About [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone

[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 33141139) has the molecular formula C23H26Cl2N2O4 and a molecular weight of 465.38 g/mol. Its IUPAC name is [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
PubChem CID33141139
Molecular FormulaC23H26Cl2N2O4
Molecular Weight465.38 g/mol
Exact Mass464.13
IUPAC Name[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCCCOc1c(Cl)cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OCC
InChIInChI=1S/C23H26Cl2N2O4/c1-3-12-31-21-19(25)14-17(15-20(21)30-4-2)23(29)27-10-8-26(9-11-27)22(28)16-6-5-7-18(24)13-16/h5-7,13-15H,3-4,8-12H2,1-2H3
InChIKeyFJPLTTDPVHPSTG-UHFFFAOYSA-N
XLogP4.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone
CID 78805812
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 9154837
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 55342942
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
(4-butoxy-3-chloro-5-ethoxyphenyl)-piperidin-1-ylmethanone
CID 112759341
2-[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440122
(3-chloro-5-ethoxy-4-propoxyphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 60559152
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645244
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
(3-chloro-5-ethoxy-4-propoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636050
(3S,4S)-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952644
(4-butoxy-3-chloro-5-ethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561521

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone (CID 33141139) is [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone is CCCOc1c(Cl)cc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OCC.
What is the InChIKey of [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is FJPLTTDPVHPSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O4/c1-3-12-31-21-19(25)14-17(15-20(21)30-4-2)23(29)27-10-8-26(9-11-27)22(28)16-6-5-7-18(24)13-16/h5-7,13-15H,3-4,8-12H2,1-2H3.
What are the key properties of [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 465.38 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 33141139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).