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(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone

C26H32ClN3O6 — CID 42861839

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(CC3CN(C(=O)c4cccc(Cl)c4)CCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32ClN3O6/c1-33-22-14-19(15-23(34-2)24(22)35-3)26(32)29-9-7-28(8-10-29)16-21-17-30(11-12-36-21)25(31)18-5-4-6-20(27)13-18/h4-6,13-15,21H,7-12,16-17H2,1-3H3
InChIKeyQANPWBKPPKXQHH-UHFFFAOYSA-N
MW518.01 g/mol
LogP2.66
Rot. Bonds7

About (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone

(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone (PubChem CID 42861839) has the molecular formula C26H32ClN3O6 and a molecular weight of 518.01 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
PubChem CID42861839
Molecular FormulaC26H32ClN3O6
Molecular Weight518.01 g/mol
Exact Mass517.20
IUPAC Name(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(CC3CN(C(=O)c4cccc(Cl)c4)CCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32ClN3O6/c1-33-22-14-19(15-23(34-2)24(22)35-3)26(32)29-9-7-28(8-10-29)16-21-17-30(11-12-36-21)25(31)18-5-4-6-20(27)13-18/h4-6,13-15,21H,7-12,16-17H2,1-3H3
InChIKeyQANPWBKPPKXQHH-UHFFFAOYSA-N
XLogP2.66
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.01
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone (CID 42861839) is (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone is COc1cc(C(=O)N2CCN(CC3CN(C(=O)c4cccc(Cl)c4)CCO3)CC2)cc(OC)c1OC.
What is the InChIKey of (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
The InChIKey is QANPWBKPPKXQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O6/c1-33-22-14-19(15-23(34-2)24(22)35-3)26(32)29-9-7-28(8-10-29)16-21-17-30(11-12-36-21)25(31)18-5-4-6-20(27)13-18/h4-6,13-15,21H,7-12,16-17H2,1-3H3.
What are the key properties of (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone?
(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone has a molecular weight of 518.01 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 42861839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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