[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone

C23H27N3O3 — CID 109052867

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc(C(=O)N4CCOCC4)c3)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-18-4-2-7-21(16-18)24-8-10-25(11-9-24)22(27)19-5-3-6-20(17-19)23(28)26-12-14-29-15-13-26/h2-7,16-17H,8-15H2,1H3
InChIKeyWYKBIJBVVVNIOR-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.43
Rot. Bonds3

About [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone (PubChem CID 109052867) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
PubChem CID109052867
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc(C(=O)N4CCOCC4)c3)CC2)c1
InChIInChI=1S/C23H27N3O3/c1-18-4-2-7-21(16-18)24-8-10-25(11-9-24)22(27)19-5-3-6-20(17-19)23(28)26-12-14-29-15-13-26/h2-7,16-17H,8-15H2,1H3
InChIKeyWYKBIJBVVVNIOR-UHFFFAOYSA-N
XLogP2.43
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)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-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
CID 109103768
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[4-(3-methylphenyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133316
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone (CID 109052867) is [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone is Cc1cccc(N2CCN(C(=O)c3cccc(C(=O)N4CCOCC4)c3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone?
The InChIKey is WYKBIJBVVVNIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-18-4-2-7-21(16-18)24-8-10-25(11-9-24)22(27)19-5-3-6-20(17-19)23(28)26-12-14-29-15-13-26/h2-7,16-17H,8-15H2,1H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone has a molecular weight of 393.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone is sourced from PubChem (CID 109052867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).