3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide

About 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide

3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 123880559) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound Name	3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID	123880559
Molecular Formula	C32H33N5O3
Molecular Weight	535.65 g/mol
Exact Mass	535.26
IUPAC Name	3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide
SMILES	CN1CCC(CC(=O)N2CCc3cc(/N=C(\c4ccccc4)C4C(=O)Nc5cc(C(N)=O)ccc54)ccc32)CC1
InChI	InChI=1S/C32H33N5O3/c1-36-14-11-20(12-15-36)17-28(38)37-16-13-22-18-24(8-10-27(22)37)34-30(21-5-3-2-4-6-21)29-25-9-7-23(31(33)39)19-26(25)35-32(29)40/h2-10,18-20,29H,11-17H2,1H3,(H2,33,39)(H,35,40)/b34-30+
InChIKey	JYFJLAIEFVCOQU-VBMGMRCRSA-N
XLogP	4.26
TPSA	108.10 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide?

The IUPAC name of 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide (CID 123880559) is 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide.

What is the SMILES notation for 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide?

The canonical SMILES for 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide is CN1CCC(CC(=O)N2CCc3cc(/N=C(\c4ccccc4)C4C(=O)Nc5cc(C(N)=O)ccc54)ccc32)CC1.

What is the InChIKey of 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide?

The InChIKey is JYFJLAIEFVCOQU-VBMGMRCRSA-N. The full InChI is InChI=1S/C32H33N5O3/c1-36-14-11-20(12-15-36)17-28(38)37-16-13-22-18-24(8-10-27(22)37)34-30(21-5-3-2-4-6-21)29-25-9-7-23(31(33)39)19-26(25)35-32(29)40/h2-10,18-20,29H,11-17H2,1H3,(H2,33,39)(H,35,40)/b34-30+.

What are the key properties of 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide?

3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 535.65 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[N-[1-[2-(1-methylpiperidin-4-yl)acetyl]-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 123880559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).