2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one

C22H24N2O3 — CID 67753273

IUPAC2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one
SMILESCOc1ccc(N2CCN(C(O)C=C3Cc4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-27-19-8-6-18(7-9-19)23-10-12-24(13-11-23)21(25)15-17-14-16-4-2-3-5-20(16)22(17)26/h2-9,15,21,25H,10-14H2,1H3
InChIKeyAXZVUTGIBWUCGY-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.50
Rot. Bonds4

About 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one

2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one (PubChem CID 67753273) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one.

Molecular Properties

Compound Name2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one
PubChem CID67753273
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one
SMILESCOc1ccc(N2CCN(C(O)C=C3Cc4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-27-19-8-6-18(7-9-19)23-10-12-24(13-11-23)21(25)15-17-14-16-4-2-3-5-20(16)22(17)26/h2-9,15,21,25H,10-14H2,1H3
InChIKeyAXZVUTGIBWUCGY-UHFFFAOYSA-N
XLogP2.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one
CID 134130901
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione
CID 9272079
(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-4H-isochromen-1-one
CID 25465660
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
2-ethylidene-3H-inden-1-one
CID 58198195
2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol
CID 174990296
N-[(2-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 51242875
(2R)-N-[(2-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461984

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one?
The IUPAC name of 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one (CID 67753273) is 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one.
What is the SMILES notation for 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one?
The canonical SMILES for 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one is COc1ccc(N2CCN(C(O)C=C3Cc4ccccc4C3=O)CC2)cc1.
What is the InChIKey of 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one?
The InChIKey is AXZVUTGIBWUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-19-8-6-18(7-9-19)23-10-12-24(13-11-23)21(25)15-17-14-16-4-2-3-5-20(16)22(17)26/h2-9,15,21,25H,10-14H2,1H3.
What are the key properties of 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one?
2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethylidene]-3H-inden-1-one is sourced from PubChem (CID 67753273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).