[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

C23H29ClN2O4 — CID 1116272

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C23H29ClN2O4/c1-4-28-20-14-17(15-21(29-5-2)22(20)30-6-3)23(27)26-12-10-25(11-13-26)19-9-7-8-18(24)16-19/h7-9,14-16H,4-6,10-13H2,1-3H3
InChIKeyPMTRJMPUEGREJQ-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.50
Rot. Bonds8

About [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone (PubChem CID 1116272) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
PubChem CID1116272
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C23H29ClN2O4/c1-4-28-20-14-17(15-21(29-5-2)22(20)30-6-3)23(27)26-12-10-25(11-13-26)19-9-7-8-18(24)16-19/h7-9,14-16H,4-6,10-13H2,1-3H3
InChIKeyPMTRJMPUEGREJQ-UHFFFAOYSA-N
XLogP4.50
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-nitrophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 55742539
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(3-ethoxy-4-hydroxyphenyl)methanethione
CID 135715548
[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33141139
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
[4-(3-chlorophenyl)piperazin-1-yl]-(3-methoxy-4-propoxyphenyl)methanone
CID 9146603
1-(3-chlorophenyl)-4-[1-(2-ethoxyphenyl)ethenyl]piperazine
CID 142954737
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone (CID 1116272) is [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(OCC)c1OCC.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is PMTRJMPUEGREJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c1-4-28-20-14-17(15-21(29-5-2)22(20)30-6-3)23(27)26-12-10-25(11-13-26)19-9-7-8-18(24)16-19/h7-9,14-16H,4-6,10-13H2,1-3H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 432.95 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 1116272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).