3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one

C24H23N3O2 — CID 54364444

IUPAC3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(=O)CN3CCCCC3)cc2C1=Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H23N3O2/c28-23(15-27-10-4-1-5-11-27)16-8-9-22-19(12-16)20(24(29)26-22)13-17-14-25-21-7-3-2-6-18(17)21/h2-3,6-9,12-14,25H,1,4-5,10-11,15H2,(H,26,29)
InChIKeyUOUASIQUFBLESX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.33
Rot. Bonds4

About 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one

3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one (PubChem CID 54364444) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one
PubChem CID54364444
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one
SMILESO=C1Nc2ccc(C(=O)CN3CCCCC3)cc2C1=Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H23N3O2/c28-23(15-27-10-4-1-5-11-27)16-8-9-22-19(12-16)20(24(29)26-22)13-17-14-25-21-7-3-2-6-18(17)21/h2-3,6-9,12-14,25H,1,4-5,10-11,15H2,(H,26,29)
InChIKeyUOUASIQUFBLESX-UHFFFAOYSA-N
XLogP4.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-5-hydroxy-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 69454677
(3E)-3-(1H-indol-3-ylmethylidene)-5-methyl-1H-indol-2-one
CID 112979063
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
(3E)-3-(1H-indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one
CID 46901563
2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
CID 70128127
(3E)-2-oxo-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indole-5-carboxamide
CID 70128125
1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
CID 82052590
5,7-dibromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 57043328
(3E)-1-[(3,3-dimethylpiperidin-1-yl)methyl]-3-(1H-indol-3-ylmethylidene)indol-2-one
CID 11978232
3-(1H-indol-4-ylmethylidene)-1H-indol-2-one
CID 69453304
(3E)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one
CID 70126009
(3Z)-7-bromo-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
CID 58923919

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one?
The IUPAC name of 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one (CID 54364444) is 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one.
What is the SMILES notation for 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one?
The canonical SMILES for 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one is O=C1Nc2ccc(C(=O)CN3CCCCC3)cc2C1=Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one?
The InChIKey is UOUASIQUFBLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23(15-27-10-4-1-5-11-27)16-8-9-22-19(12-16)20(24(29)26-22)13-17-14-25-21-7-3-2-6-18(17)21/h2-3,6-9,12-14,25H,1,4-5,10-11,15H2,(H,26,29).
What are the key properties of 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one?
3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one has a molecular weight of 385.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethylidene)-5-(2-piperidin-1-ylacetyl)-1H-indol-2-one is sourced from PubChem (CID 54364444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).