1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone

C24H28ClN3O3 — CID 42861508

IUPAC1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC2CN(C(=O)c3ccccc3Cl)CCO2)CC1
InChIInChI=1S/C24H28ClN3O3/c25-22-9-5-4-8-21(22)24(30)28-14-15-31-20(18-28)17-26-10-12-27(13-11-26)23(29)16-19-6-2-1-3-7-19/h1-9,20H,10-18H2
InChIKeyLKZNHYDYOPRYNR-UHFFFAOYSA-N
MW441.96 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone

1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 42861508) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
PubChem CID42861508
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC2CN(C(=O)c3ccccc3Cl)CCO2)CC1
InChIInChI=1S/C24H28ClN3O3/c25-22-9-5-4-8-21(22)24(30)28-14-15-31-20(18-28)17-26-10-12-27(13-11-26)23(29)16-19-6-2-1-3-7-19/h1-9,20H,10-18H2
InChIKeyLKZNHYDYOPRYNR-UHFFFAOYSA-N
XLogP2.57
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone 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

1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861510
1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42861895
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861511
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
2-(4-methoxyphenyl)-1-[4-[[4-(2-phenoxyacetyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 42861902
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 92988117
[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 121054039
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
CID 120550218
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone (CID 42861508) is 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(CC2CN(C(=O)c3ccccc3Cl)CCO2)CC1.
What is the InChIKey of 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is LKZNHYDYOPRYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c25-22-9-5-4-8-21(22)24(30)28-14-15-31-20(18-28)17-26-10-12-27(13-11-26)23(29)16-19-6-2-1-3-7-19/h1-9,20H,10-18H2.
What are the key properties of 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 441.96 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 42861508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).