5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one

C22H26ClN3O — CID 164609529

IUPAC5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one
SMILESCC1(CCCN2CCN(c3ccccn3)CC2)Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C22H26ClN3O/c1-22(16-17-15-18(23)6-7-19(17)21(22)27)8-4-10-25-11-13-26(14-12-25)20-5-2-3-9-24-20/h2-3,5-7,9,15H,4,8,10-14,16H2,1H3
InChIKeyAKXPLUFJRRUGNE-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.08
Rot. Bonds5

About 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one

5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one (PubChem CID 164609529) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one.

Molecular Properties

Compound Name5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one
PubChem CID164609529
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one
SMILESCC1(CCCN2CCN(c3ccccn3)CC2)Cc2cc(Cl)ccc2C1=O
InChIInChI=1S/C22H26ClN3O/c1-22(16-17-15-18(23)6-7-19(17)21(22)27)8-4-10-25-11-13-26(14-12-25)20-5-2-3-9-24-20/h2-3,5-7,9,15H,4,8,10-14,16H2,1H3
InChIKeyAKXPLUFJRRUGNE-UHFFFAOYSA-N
XLogP4.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one with MolForge

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Related Compounds

6-chloro-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroinden-1-one
CID 164627977
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CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
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7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
CID 86293219
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
CID 11131952
(5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
CID 10152819
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one?
The IUPAC name of 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one (CID 164609529) is 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one.
What is the SMILES notation for 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one?
The canonical SMILES for 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one is CC1(CCCN2CCN(c3ccccn3)CC2)Cc2cc(Cl)ccc2C1=O.
What is the InChIKey of 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one?
The InChIKey is AKXPLUFJRRUGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-22(16-17-15-18(23)6-7-19(17)21(22)27)8-4-10-25-11-13-26(14-12-25)20-5-2-3-9-24-20/h2-3,5-7,9,15H,4,8,10-14,16H2,1H3.
What are the key properties of 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one?
5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one has a molecular weight of 383.92 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-inden-1-one is sourced from PubChem (CID 164609529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).