3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one

C23H27N3O2 — CID 69471348

IUPAC3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
SMILESCc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)N1CCCCC1
InChIInChI=1S/C23H27N3O2/c1-15-17(10-11-22(27)26-12-6-3-7-13-26)16(2)24-21(15)14-19-18-8-4-5-9-20(18)25-23(19)28/h4-5,8-9,14,24H,3,6-7,10-13H2,1-2H3,(H,25,28)
InChIKeyUARYVLMOHISHNY-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.07
Rot. Bonds4

About 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one

3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one (PubChem CID 69471348) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
PubChem CID69471348
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
SMILESCc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)N1CCCCC1
InChIInChI=1S/C23H27N3O2/c1-15-17(10-11-22(27)26-12-6-3-7-13-26)16(2)24-21(15)14-19-18-8-4-5-9-20(18)25-23(19)28/h4-5,8-9,14,24H,3,6-7,10-13H2,1-2H3,(H,25,28)
InChIKeyUARYVLMOHISHNY-UHFFFAOYSA-N
XLogP4.07
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one with MolForge

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Related Compounds

(3Z)-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 10587839
3-[[3,5-dimethyl-4-(3-morpholin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 54360731
3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[3-(methylamino)propyl]propanamide
CID 69468918
3-[2,4-dimethyl-5-[(Z)-(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
CID 5329150
[3-chloro-2-[[(3Z)-3-[[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]sulfanylmethyl]phenyl] hypochlorite
CID 142190016
ethyl 2,4-dimethyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CID 5654
3-[2,4-dimethyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]propanamide
CID 69470938
3-[2,4-dimethyl-5-[(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
CID 69032764
3-[[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrrol-2-yl]methylidene]-4-(2-fluorophenyl)-1H-indol-2-one
CID 72637782
3-[[4-[3-[(2S)-2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-3-oxopropyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[(2,6-dichlorophenyl)methylsulfonyl]-1H-indol-2-one
CID 91558404
2,4-dimethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 59069514
N-[3-(2-hydroxy-1,3-diazinan-1-yl)propyl]-2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
CID 149170463

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one (CID 69471348) is 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one is Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)N1CCCCC1.
What is the InChIKey of 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one?
The InChIKey is UARYVLMOHISHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-17(10-11-22(27)26-12-6-3-7-13-26)16(2)24-21(15)14-19-18-8-4-5-9-20(18)25-23(19)28/h4-5,8-9,14,24H,3,6-7,10-13H2,1-2H3,(H,25,28).
What are the key properties of 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one?
3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-(3-oxo-3-piperidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 69471348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).