N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide

C19H28N4O — CID 72882961

IUPACN-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCCn1ncc2ccccc21
InChIInChI=1S/C19H28N4O/c1-22-13-5-4-8-17(22)10-11-19(24)20-12-6-14-23-18-9-3-2-7-16(18)15-21-23/h2-3,7,9,15,17H,4-6,8,10-14H2,1H3,(H,20,24)
InChIKeyDRGVOYNDIOXWTH-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.81
Rot. Bonds7

About N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide

N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72882961) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72882961
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCCn1ncc2ccccc21
InChIInChI=1S/C19H28N4O/c1-22-13-5-4-8-17(22)10-11-19(24)20-12-6-14-23-18-9-3-2-7-16(18)15-21-23/h2-3,7,9,15,17H,4-6,8,10-14H2,1H3,(H,20,24)
InChIKeyDRGVOYNDIOXWTH-UHFFFAOYSA-N
XLogP2.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide 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 N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide (CID 72882961) is N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide is CN1CCCCC1CCC(=O)NCCCn1ncc2ccccc21.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is DRGVOYNDIOXWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-22-13-5-4-8-17(22)10-11-19(24)20-12-6-14-23-18-9-3-2-7-16(18)15-21-23/h2-3,7,9,15,17H,4-6,8,10-14H2,1H3,(H,20,24).
What are the key properties of N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide?
N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72882961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).