N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide

C19H28N4O — CID 18969248

IUPACN-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
SMILESCCCn1nc(C(=O)NCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-2-12-23-17-10-5-4-9-16(17)18(21-23)19(24)20-11-8-15-22-13-6-3-7-14-22/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,20,24)
InChIKeyCYNVCLDOHZRMEI-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.05
Rot. Bonds7

About N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide

N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide (PubChem CID 18969248) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
PubChem CID18969248
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
SMILESCCCn1nc(C(=O)NCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-2-12-23-17-10-5-4-9-16(17)18(21-23)19(24)20-11-8-15-22-13-6-3-7-14-22/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,20,24)
InChIKeyCYNVCLDOHZRMEI-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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

1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
N-[2-[4-(propanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70077964
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-propylindazole-3-carboxamide
CID 15485212
N-[2-[4-(2,2-dimethylpropanoylamino)piperidin-1-yl]ethyl]-1-propylindazole-3-carboxamide
CID 70078243
N-[2-(4-butylpiperazin-1-yl)ethyl]-1-pentan-3-ylindazole-3-carboxamide
CID 15435295
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 54683762
4-oxo-3-pentyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phthalazine-1-carboxamide
CID 46545559
N-[3-(azepan-1-yl)propyl]-4-(3-oxo-4-propylquinoxalin-2-yl)benzamide
CID 46395254
N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179909
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide (CID 18969248) is N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide is CCCn1nc(C(=O)NCCCN2CCCCC2)c2ccccc21.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide?
The InChIKey is CYNVCLDOHZRMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-2-12-23-17-10-5-4-9-16(17)18(21-23)19(24)20-11-8-15-22-13-6-3-7-14-22/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,20,24).
What are the key properties of N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide?
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.05, 7 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-propylindazole-3-carboxamide is sourced from PubChem (CID 18969248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).