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

C19H28N4O — CID 72893744

IUPACN-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCCn2ncc3ccccc32)C1
InChIInChI=1S/C19H28N4O/c1-22-12-4-6-16(15-22)9-10-19(24)20-11-5-13-23-18-8-3-2-7-17(18)14-21-23/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3,(H,20,24)
InChIKeyAZBCVBCRPYUXIN-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.66
Rot. Bonds7

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

N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide (PubChem CID 72893744) 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-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide
PubChem CID72893744
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(CCC(=O)NCCCn2ncc3ccccc32)C1
InChIInChI=1S/C19H28N4O/c1-22-12-4-6-16(15-22)9-10-19(24)20-11-5-13-23-18-8-3-2-7-17(18)14-21-23/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3,(H,20,24)
InChIKeyAZBCVBCRPYUXIN-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide (CID 72893744) is N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide is CN1CCCC(CCC(=O)NCCCn2ncc3ccccc32)C1.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide?
The InChIKey is AZBCVBCRPYUXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-22-12-4-6-16(15-22)9-10-19(24)20-11-5-13-23-18-8-3-2-7-17(18)14-21-23/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3,(H,20,24).
What are the key properties of N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide?
N-(3-indazol-1-ylpropyl)-3-(1-methylpiperidin-3-yl)propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.66, 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-3-yl)propanamide is sourced from PubChem (CID 72893744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).