[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

C48H54N4O8 — CID 15491077

IUPAC[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
SMILESCOc1cc(-c2ccc(C(=O)N3CCN(Cc4ccc(CN5CCN(C(=O)c6ccc(-c7cc(OC)c(OC)c(OC)c7)cc6)CC5)cc4)CC3)cc2)cc(OC)c1OC
InChIInChI=1S/C48H54N4O8/c1-55-41-27-39(28-42(56-2)45(41)59-5)35-11-15-37(16-12-35)47(53)51-23-19-49(20-24-51)31-33-7-9-34(10-8-33)32-50-21-25-52(26-22-50)48(54)38-17-13-36(14-18-38)40-29-43(57-3)46(60-6)44(30-40)58-4/h7-18,27-30H,19-26,31-32H2,1-6H3
InChIKeyKFHGQRXHBJDOOI-UHFFFAOYSA-N
MW814.98 g/mol
LogP6.99
Rot. Bonds14

About [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

[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 (PubChem CID 15491077) has the molecular formula C48H54N4O8 and a molecular weight of 814.98 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID15491077
Molecular FormulaC48H54N4O8
Molecular Weight814.98 g/mol
Exact Mass814.39
IUPAC Name[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
SMILESCOc1cc(-c2ccc(C(=O)N3CCN(Cc4ccc(CN5CCN(C(=O)c6ccc(-c7cc(OC)c(OC)c(OC)c7)cc6)CC5)cc4)CC3)cc2)cc(OC)c1OC
InChIInChI=1S/C48H54N4O8/c1-55-41-27-39(28-42(56-2)45(41)59-5)35-11-15-37(16-12-35)47(53)51-23-19-49(20-24-51)31-33-7-9-34(10-8-33)32-50-21-25-52(26-22-50)48(54)38-17-13-36(14-18-38)40-29-43(57-3)46(60-6)44(30-40)58-4/h7-18,27-30H,19-26,31-32H2,1-6H3
InChIKeyKFHGQRXHBJDOOI-UHFFFAOYSA-N
XLogP6.99
TPSA102.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.98
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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Related Compounds

[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
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 17367991
[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28754
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116506
phenyl-[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 18546829
(3,4-dimethoxyphenyl)-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methanone
CID 1015165
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 18115984
[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 126476745
[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 997986
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1cc(-c2ccc(C(=O)N3CCN(Cc4ccc(CN5CCN(C(=O)c6ccc(-c7cc(OC)c(OC)c(OC)c7)cc6)CC5)cc4)CC3)cc2)cc(OC)c1OC.
What is the InChIKey of [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?
The InChIKey is KFHGQRXHBJDOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54N4O8/c1-55-41-27-39(28-42(56-2)45(41)59-5)35-11-15-37(16-12-35)47(53)51-23-19-49(20-24-51)31-33-7-9-34(10-8-33)32-50-21-25-52(26-22-50)48(54)38-17-13-36(14-18-38)40-29-43(57-3)46(60-6)44(30-40)58-4/h7-18,27-30H,19-26,31-32H2,1-6H3.
What are the key properties of [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?
[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 has a molecular weight of 814.98 g/mol, XLogP of 6.99, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 15491077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).