6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione

C23H25ClN4O3 — CID 42871386

IUPAC6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione
SMILESCN1CCN(C(=O)c2cccc(CN3C(=O)CC(c4ccc(Cl)cc4)NC3=O)c2)CC1
InChIInChI=1S/C23H25ClN4O3/c1-26-9-11-27(12-10-26)22(30)18-4-2-3-16(13-18)15-28-21(29)14-20(25-23(28)31)17-5-7-19(24)8-6-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,25,31)
InChIKeyIFMLGTBTMKXALM-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.91
Rot. Bonds4

About 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione

6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 42871386) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione
PubChem CID42871386
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione
SMILESCN1CCN(C(=O)c2cccc(CN3C(=O)CC(c4ccc(Cl)cc4)NC3=O)c2)CC1
InChIInChI=1S/C23H25ClN4O3/c1-26-9-11-27(12-10-26)22(30)18-4-2-3-16(13-18)15-28-21(29)14-20(25-23(28)31)17-5-7-19(24)8-6-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,25,31)
InChIKeyIFMLGTBTMKXALM-UHFFFAOYSA-N
XLogP2.91
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

3-[[3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-6-phenyl-1,3-diazinane-2,4-dione
CID 42871389
3-[[4-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]benzamide
CID 146102608
3-[[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42851608
3-[[(4R)-2,6-dioxo-4-phenyl-1,3-diazinan-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 93329251
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
2-(4-chlorophenyl)-1'-[[3-(piperazine-1-carbonyl)phenyl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 75988767
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
[4-(aminomethyl)piperidin-1-yl]-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 119423563
ethyl 4-(3,4-dichlorophenyl)-1-[[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42761123
5-methyl-1-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrrole-3-carboxylic acid
CID 67377677
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione (CID 42871386) is 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione is CN1CCN(C(=O)c2cccc(CN3C(=O)CC(c4ccc(Cl)cc4)NC3=O)c2)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is IFMLGTBTMKXALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-26-9-11-27(12-10-26)22(30)18-4-2-3-16(13-18)15-28-21(29)14-20(25-23(28)31)17-5-7-19(24)8-6-17/h2-8,13,20H,9-12,14-15H2,1H3,(H,25,31).
What are the key properties of 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione?
6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 440.93 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 42871386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).