4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile

C23H26N4O4S — CID 55622621

IUPAC4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H26N4O4S/c24-17-19-5-7-20(8-6-19)18-25-9-11-26(12-10-25)23(28)21-3-1-2-4-22(21)32(29,30)27-13-15-31-16-14-27/h1-8H,9-16,18H2
InChIKeyJRMHIJQURDGRBL-UHFFFAOYSA-N
MW454.55 g/mol
LogP1.54
Rot. Bonds5

About 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile

4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile (PubChem CID 55622621) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile
PubChem CID55622621
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H26N4O4S/c24-17-19-5-7-20(8-6-19)18-25-9-11-26(12-10-25)23(28)21-3-1-2-4-22(21)32(29,30)27-13-15-31-16-14-27/h1-8H,9-16,18H2
InChIKeyJRMHIJQURDGRBL-UHFFFAOYSA-N
XLogP1.54
TPSA93.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile 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-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 32717171
(2-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402696
1,4-diazepan-1-yl-(2-morpholin-4-ylsulfonylphenyl)methanone
CID 119417300
4-[[4-(2-benzoylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 17492366
4-[[4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 43003153
4-[[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55470649
4-[[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 27755791
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224
4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
CID 17465828
4-[[4-(2,3-dimethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 37277247
(4-benzylpiperazin-1-yl)-[4-(morpholin-4-ylsulfonylmethyl)phenyl]methanone
CID 28631992
4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 15284673

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile (CID 55622621) is 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile?
The InChIKey is JRMHIJQURDGRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c24-17-19-5-7-20(8-6-19)18-25-9-11-26(12-10-25)23(28)21-3-1-2-4-22(21)32(29,30)27-13-15-31-16-14-27/h1-8H,9-16,18H2.
What are the key properties of 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile?
4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile has a molecular weight of 454.55 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 55622621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).