N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide

C19H28N4O — CID 10592401

IUPACN-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-15(2)23-17-10-5-4-9-16(17)18(21-23)19(24)20-11-8-14-22-12-6-3-7-13-22/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,20,24)
InChIKeyAJFVHBBWLYTJGE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.22
Rot. Bonds6

About N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide

N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10592401) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide
PubChem CID10592401
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-15(2)23-17-10-5-4-9-16(17)18(21-23)19(24)20-11-8-14-22-12-6-3-7-13-22/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,20,24)
InChIKeyAJFVHBBWLYTJGE-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.22
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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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
MDMB-Fubinaca
CID 119025665
AB-Pinaca
CID 71301472
Facinicline
CID 9970357
5-Fluoro-apinaca
CID 71711119

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide (CID 10592401) is N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NCCCN2CCCCC2)c2ccccc21.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is AJFVHBBWLYTJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(2)23-17-10-5-4-9-16(17)18(21-23)19(24)20-11-8-14-22-12-6-3-7-13-22/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,20,24).
What are the key properties of N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide?
N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10592401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).