[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone

C27H28N2O4 — CID 87055955

IUPAC[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(COc4ccc(C)cc4)cc3)CC2)cc1
InChIInChI=1S/C27H28N2O4/c1-20-3-11-25(12-4-20)33-19-21-5-7-22(8-6-21)26(30)28-15-17-29(18-16-28)27(31)23-9-13-24(32-2)14-10-23/h3-14H,15-19H2,1-2H3
InChIKeyXLKAOCYTFJUNHG-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.18
Rot. Bonds6

About [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone

[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone (PubChem CID 87055955) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
PubChem CID87055955
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(COc4ccc(C)cc4)cc3)CC2)cc1
InChIInChI=1S/C27H28N2O4/c1-20-3-11-25(12-4-20)33-19-21-5-7-22(8-6-21)26(30)28-15-17-29(18-16-28)27(31)23-9-13-24(32-2)14-10-23/h3-14H,15-19H2,1-2H3
InChIKeyXLKAOCYTFJUNHG-UHFFFAOYSA-N
XLogP4.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]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-[[4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]phenyl]methoxy]phenyl]-phenylmethanone
CID 87056027
[4-[(4-methoxyphenoxy)methyl]phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325642
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
(4-methoxyphenyl)-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46666074
1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108543863
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
ethyl 4-[4-(phenoxymethyl)benzoyl]piperazine-1-carboxylate
CID 6457055
[4-[[4-(hydroxymethyl)phenoxy]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 110884966
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone?
The IUPAC name of [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone (CID 87055955) is [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone.
What is the SMILES notation for [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone?
The canonical SMILES for [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(COc4ccc(C)cc4)cc3)CC2)cc1.
What is the InChIKey of [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone?
The InChIKey is XLKAOCYTFJUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-20-3-11-25(12-4-20)33-19-21-5-7-22(8-6-21)26(30)28-15-17-29(18-16-28)27(31)23-9-13-24(32-2)14-10-23/h3-14H,15-19H2,1-2H3.
What are the key properties of [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone?
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone has a molecular weight of 444.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone is sourced from PubChem (CID 87055955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).