[4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone

C43H52N4O5 — CID 142839474

IUPAC[4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone
SMILESCCc1c(C)cc(-c2ccc(C(=O)N3CCN(CCCN4CCN(C(=O)c5ccc(-c6cc(OC)cc(OC)c6)cc5)CC4)CC3)cc2)cc1OC
InChIInChI=1S/C43H52N4O5/c1-6-40-31(2)26-36(29-41(40)52-5)32-8-12-34(13-9-32)42(48)46-22-18-44(19-23-46)16-7-17-45-20-24-47(25-21-45)43(49)35-14-10-33(11-15-35)37-27-38(50-3)30-39(28-37)51-4/h8-15,26-30H,6-7,16-25H2,1-5H3
InChIKeyOUMAUIGKTAPHQQ-UHFFFAOYSA-N
MW704.91 g/mol
LogP6.52
Rot. Bonds12

About [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone

[4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone (PubChem CID 142839474) has the molecular formula C43H52N4O5 and a molecular weight of 704.91 g/mol. Its IUPAC name is [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone
PubChem CID142839474
Molecular FormulaC43H52N4O5
Molecular Weight704.91 g/mol
Exact Mass704.39
IUPAC Name[4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone
SMILESCCc1c(C)cc(-c2ccc(C(=O)N3CCN(CCCN4CCN(C(=O)c5ccc(-c6cc(OC)cc(OC)c6)cc5)CC4)CC3)cc2)cc1OC
InChIInChI=1S/C43H52N4O5/c1-6-40-31(2)26-36(29-41(40)52-5)32-8-12-34(13-9-32)42(48)46-22-18-44(19-23-46)16-7-17-45-20-24-47(25-21-45)43(49)35-14-10-33(11-15-35)37-27-38(50-3)30-39(28-37)51-4/h8-15,26-30H,6-7,16-25H2,1-5H3
InChIKeyOUMAUIGKTAPHQQ-UHFFFAOYSA-N
XLogP6.52
TPSA74.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.91
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone with MolForge

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Related Compounds

[4-[3-[4-[4-(3,5-dimethoxy-4-methylphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(3,5-dimethoxyphenyl)phenyl]methanone
CID 142839476
[4-[3-[4-[4-(4-ethoxy-3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethoxy-3,5-dimethoxyphenyl)phenyl]methanone;methanesulfonic acid
CID 10373456
[4-[[4-[[4-[4-(3,4,5-trimethoxyphenyl)benzoyl]piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-[4-(3,4,5-trimethoxyphenyl)phenyl]methanone
CID 15491077
[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 46092149
[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 113074511
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
(3,4-dimethoxyphenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073794
[4-[[6-[[4-[4-(3,4,5-trimethoxyphenyl)benzoyl]piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperazin-1-yl]-[4-(3,4,5-trimethoxyphenyl)phenyl]methanone
CID 18770400
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone?
The IUPAC name of [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone (CID 142839474) is [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone.
What is the SMILES notation for [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone?
The canonical SMILES for [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone is CCc1c(C)cc(-c2ccc(C(=O)N3CCN(CCCN4CCN(C(=O)c5ccc(-c6cc(OC)cc(OC)c6)cc5)CC4)CC3)cc2)cc1OC.
What is the InChIKey of [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone?
The InChIKey is OUMAUIGKTAPHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N4O5/c1-6-40-31(2)26-36(29-41(40)52-5)32-8-12-34(13-9-32)42(48)46-22-18-44(19-23-46)16-7-17-45-20-24-47(25-21-45)43(49)35-14-10-33(11-15-35)37-27-38(50-3)30-39(28-37)51-4/h8-15,26-30H,6-7,16-25H2,1-5H3.
What are the key properties of [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone?
[4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone has a molecular weight of 704.91 g/mol, XLogP of 6.52, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-[4-(3,5-dimethoxyphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(4-ethyl-3-methoxy-5-methylphenyl)phenyl]methanone is sourced from PubChem (CID 142839474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).