1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone

C24H27Cl2N3O3 — CID 42861511

IUPAC1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)CC1
InChIInChI=1S/C24H27Cl2N3O3/c25-21-7-6-19(15-22(21)26)24(31)29-12-13-32-20(17-29)16-27-8-10-28(11-9-27)23(30)14-18-4-2-1-3-5-18/h1-7,15,20H,8-14,16-17H2
InChIKeyNWPVGZMTHQATIR-UHFFFAOYSA-N
MW476.40 g/mol
LogP3.22
Rot. Bonds5

About 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone

1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 42861511) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
PubChem CID42861511
Molecular FormulaC24H27Cl2N3O3
Molecular Weight476.40 g/mol
Exact Mass475.14
IUPAC Name1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)CC1
InChIInChI=1S/C24H27Cl2N3O3/c25-21-7-6-19(15-22(21)26)24(31)29-12-13-32-20(17-29)16-27-8-10-28(11-9-27)23(30)14-18-4-2-1-3-5-18/h1-7,15,20H,8-14,16-17H2
InChIKeyNWPVGZMTHQATIR-UHFFFAOYSA-N
XLogP3.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861508
1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861510
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42861895
2-(3,4-dichlorophenyl)-1-[4-[[(2R)-morpholin-2-yl]methyl]piperazin-1-yl]ethanone
CID 160957296
(2R)-N-benzyl-2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholine-4-carboxamide
CID 92990014
2-[[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]methyl]-N-benzylmorpholine-4-carboxamide
CID 46060446
(2S)-2-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]morpholine-4-carboxylic acid
CID 67220680
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 121054039
1-[2-[[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 42861924
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone (CID 42861511) is 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(CC2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)CC1.
What is the InChIKey of 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is NWPVGZMTHQATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3/c25-21-7-6-19(15-22(21)26)24(31)29-12-13-32-20(17-29)16-27-8-10-28(11-9-27)23(30)14-18-4-2-1-3-5-18/h1-7,15,20H,8-14,16-17H2.
What are the key properties of 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone?
1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 476.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 42861511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).