(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone

C24H28ClN3O4 — CID 42861858

IUPAC(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CC2CN(C(=O)c3ccc(Cl)cc3)CCO2)CC1
InChIInChI=1S/C24H28ClN3O4/c1-31-22-5-3-2-4-21(22)24(30)27-12-10-26(11-13-27)16-20-17-28(14-15-32-20)23(29)18-6-8-19(25)9-7-18/h2-9,20H,10-17H2,1H3
InChIKeyHEZJYCPIWHFNDN-UHFFFAOYSA-N
MW457.96 g/mol
LogP2.65
Rot. Bonds5

About (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone

(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone (PubChem CID 42861858) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
PubChem CID42861858
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC Name(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(CC2CN(C(=O)c3ccc(Cl)cc3)CCO2)CC1
InChIInChI=1S/C24H28ClN3O4/c1-31-22-5-3-2-4-21(22)24(30)27-12-10-26(11-13-27)16-20-17-28(14-15-32-20)23(29)18-6-8-19(25)9-7-18/h2-9,20H,10-17H2,1H3
InChIKeyHEZJYCPIWHFNDN-UHFFFAOYSA-N
XLogP2.65
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(3,4-dimethoxyphenyl)-[4-[[(2S)-4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 93338476
(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861839
1,3-benzodioxol-5-yl-[2-[[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 46059832
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 92988117
1,3-benzodioxol-5-yl-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861471
[4-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 42862313
(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988161
[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42861807
1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42861895

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone (CID 42861858) is (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone is COc1ccccc1C(=O)N1CCN(CC2CN(C(=O)c3ccc(Cl)cc3)CCO2)CC1.
What is the InChIKey of (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The InChIKey is HEZJYCPIWHFNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-31-22-5-3-2-4-21(22)24(30)27-12-10-26(11-13-27)16-20-17-28(14-15-32-20)23(29)18-6-8-19(25)9-7-18/h2-9,20H,10-17H2,1H3.
What are the key properties of (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone has a molecular weight of 457.96 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 42861858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).