1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione

C20H20ClN3O2 — CID 7029246

IUPAC1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H20ClN3O2/c21-16-7-5-15(6-8-16)13-22-9-11-23(12-10-22)14-24-18-4-2-1-3-17(18)19(25)20(24)26/h1-8H,9-14H2
InChIKeyURYLOPIFKHCJQK-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.64
Rot. Bonds4

About 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione

1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione (PubChem CID 7029246) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
PubChem CID7029246
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H20ClN3O2/c21-16-7-5-15(6-8-16)13-22-9-11-23(12-10-22)14-24-18-4-2-1-3-17(18)19(25)20(24)26/h1-8H,9-14H2
InChIKeyURYLOPIFKHCJQK-UHFFFAOYSA-N
XLogP2.64
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione
CID 20502550
1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 7029235
1-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 7029286
1-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 17023570
1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 9282637
1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
CID 23363916
5-chloro-1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9171044
2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 9390005
1-[(4-benzylpiperazin-1-yl)methyl]-3-[4-[[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]phenyl]iminoindol-2-one
CID 100817066
2-[9-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]nonyl]isoindole-1,3-dione
CID 127053246
1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9330466
1-[[3-chloro-4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 3745546

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione?
The IUPAC name of 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione (CID 7029246) is 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione?
The canonical SMILES for 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione is O=C1C(=O)N(CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione?
The InChIKey is URYLOPIFKHCJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-16-7-5-15(6-8-16)13-22-9-11-23(12-10-22)14-24-18-4-2-1-3-17(18)19(25)20(24)26/h1-8H,9-14H2.
What are the key properties of 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione?
1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione has a molecular weight of 369.85 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 7029246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).