[5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C29H34N2O3 — CID 130280545

IUPAC[5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCOc1ccc(-c2ccc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2)cc1
InChIInChI=1S/C29H34N2O3/c1-4-5-20-34-25-14-12-23(13-15-25)24-11-10-22(2)26(21-24)29(32)31-18-16-30(17-19-31)27-8-6-7-9-28(27)33-3/h6-15,21H,4-5,16-20H2,1-3H3
InChIKeyWBMPBZPOATUVAZ-UHFFFAOYSA-N
MW458.60 g/mol
LogP5.81
Rot. Bonds8

About [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 130280545) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID130280545
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name[5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCOc1ccc(-c2ccc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2)cc1
InChIInChI=1S/C29H34N2O3/c1-4-5-20-34-25-14-12-23(13-15-25)24-11-10-22(2)26(21-24)29(32)31-18-16-30(17-19-31)27-8-6-7-9-28(27)33-3/h6-15,21H,4-5,16-20H2,1-3H3
InChIKeyWBMPBZPOATUVAZ-UHFFFAOYSA-N
XLogP5.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[2-methyl-5-(4-propoxyanilino)sulfanylphenyl]methanone
CID 146231513
N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 66580313
(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 112759903
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(4-butoxy-3-methoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766369
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109361605
(3,5-dichloro-4-heptoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 18848584
ethyl 2-[4-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylphenyl]sulfonylamino]phenoxy]propanoate
CID 53257397
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108533625
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621

Frequently Asked Questions

What is the IUPAC name of [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 130280545) is [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is CCCCOc1ccc(-c2ccc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)c2)cc1.
What is the InChIKey of [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WBMPBZPOATUVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-4-5-20-34-25-14-12-23(13-15-25)24-11-10-22(2)26(21-24)29(32)31-18-16-30(17-19-31)27-8-6-7-9-28(27)33-3/h6-15,21H,4-5,16-20H2,1-3H3.
What are the key properties of [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 458.60 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butoxyphenyl)-2-methylphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 130280545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).