1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide

C28H34N4O4 — CID 90972803

IUPAC1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCONC1=CCc2c(CCN3CCC(n4ccc5ccc(C(N)=O)cc54)CC3)c(OC)cc(OC)c21
InChIInChI=1S/C28H34N4O4/c1-34-25-17-26(35-2)27-22(6-7-23(27)30-36-3)21(25)11-14-31-12-9-20(10-13-31)32-15-8-18-4-5-19(28(29)33)16-24(18)32/h4-5,7-8,15-17,20,30H,6,9-14H2,1-3H3,(H2,29,33)
InChIKeyCCVDFPJUMJGNPC-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.68
Rot. Bonds9

About 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 90972803) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID90972803
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCONC1=CCc2c(CCN3CCC(n4ccc5ccc(C(N)=O)cc54)CC3)c(OC)cc(OC)c21
InChIInChI=1S/C28H34N4O4/c1-34-25-17-26(35-2)27-22(6-7-23(27)30-36-3)21(25)11-14-31-12-9-20(10-13-31)32-15-8-18-4-5-19(28(29)33)16-24(18)32/h4-5,7-8,15-17,20,30H,6,9-14H2,1-3H3,(H2,29,33)
InChIKeyCCVDFPJUMJGNPC-UHFFFAOYSA-N
XLogP3.68
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 90972803) is 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide is CONC1=CCc2c(CCN3CCC(n4ccc5ccc(C(N)=O)cc54)CC3)c(OC)cc(OC)c21.
What is the InChIKey of 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is CCVDFPJUMJGNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-34-25-17-26(35-2)27-22(6-7-23(27)30-36-3)21(25)11-14-31-12-9-20(10-13-31)32-15-8-18-4-5-19(28(29)33)16-24(18)32/h4-5,7-8,15-17,20,30H,6,9-14H2,1-3H3,(H2,29,33).
What are the key properties of 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 90972803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).