(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one

C27H26N2O2 — CID 134130901

IUPAC(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C\c1ccc(N3CCN(c4ccccc4)CC3)cc1)C2
InChIInChI=1S/C27H26N2O2/c1-31-25-12-9-21-18-22(27(30)26(21)19-25)17-20-7-10-24(11-8-20)29-15-13-28(14-16-29)23-5-3-2-4-6-23/h2-12,17,19H,13-16,18H2,1H3/b22-17-
InChIKeyVNRDEUYRILMNKR-XLNRJJMWSA-N
MW410.52 g/mol
LogP4.84
Rot. Bonds4

About (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one

(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one (PubChem CID 134130901) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one
PubChem CID134130901
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one
SMILESCOc1ccc2c(c1)C(=O)/C(=C\c1ccc(N3CCN(c4ccccc4)CC3)cc1)C2
InChIInChI=1S/C27H26N2O2/c1-31-25-12-9-21-18-22(27(30)26(21)19-25)17-20-7-10-24(11-8-20)29-15-13-28(14-16-29)23-5-3-2-4-6-23/h2-12,17,19H,13-16,18H2,1H3/b22-17-
InChIKeyVNRDEUYRILMNKR-XLNRJJMWSA-N
XLogP4.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one 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

6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
CID 174901660
5-ethoxy-2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one
CID 178159387
(2E)-2-[(4-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 58855563
(6E)-6-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
CID 171349206
2-[(1-benzylpyridin-1-ium-3-yl)methylidene]-6-methoxy-3H-inden-1-one
CID 178159409
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-5-methoxy-3H-inden-1-one
CID 53315284
2-[(3,5-dimethoxyphenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 54264295
2-[(1-benzylpyridin-1-ium-3-yl)methylidene]-6-methoxy-3H-inden-1-one bromide
CID 178159408
2-[[4-[4-[(2-chlorophenyl)methyl]-4-methylpiperazin-4-ium-1-yl]phenyl]methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 176732475
sodium (Z)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methanolate
CID 75356207
(2E)-2-[[4-[4-(furan-3-carbonyl)piperazin-1-yl]phenyl]methylidene]-5,6-dimethoxy-3H-inden-1-one
CID 134142133
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one?
The IUPAC name of (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one (CID 134130901) is (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one.
What is the SMILES notation for (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one?
The canonical SMILES for (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one is COc1ccc2c(c1)C(=O)/C(=C\c1ccc(N3CCN(c4ccccc4)CC3)cc1)C2.
What is the InChIKey of (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one?
The InChIKey is VNRDEUYRILMNKR-XLNRJJMWSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-31-25-12-9-21-18-22(27(30)26(21)19-25)17-20-7-10-24(11-8-20)29-15-13-28(14-16-29)23-5-3-2-4-6-23/h2-12,17,19H,13-16,18H2,1H3/b22-17-.
What are the key properties of (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one?
(2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one has a molecular weight of 410.52 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methoxy-2-[[4-(4-phenylpiperazin-1-yl)phenyl]methylidene]-3H-inden-1-one is sourced from PubChem (CID 134130901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).