N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide

C20H30N4O — CID 10593430

IUPACN-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C20H30N4O/c1-16(2)24-18-11-5-4-10-17(18)19(22-24)20(25)21-12-6-9-15-23-13-7-3-8-14-23/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3,(H,21,25)
InChIKeyBYSASFQFJKKILP-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.61
Rot. Bonds7

About N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide

N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10593430) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide
PubChem CID10593430
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C20H30N4O/c1-16(2)24-18-11-5-4-10-17(18)19(22-24)20(25)21-12-6-9-15-23-13-7-3-8-14-23/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3,(H,21,25)
InChIKeyBYSASFQFJKKILP-UHFFFAOYSA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.61
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-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide (CID 10593430) is N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NCCCCN2CCCCC2)c2ccccc21.
What is the InChIKey of N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is BYSASFQFJKKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-16(2)24-18-11-5-4-10-17(18)19(22-24)20(25)21-12-6-9-15-23-13-7-3-8-14-23/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3,(H,21,25).
What are the key properties of N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide?
N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10593430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).