1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine

C24H39N5 — CID 3021356

IUPAC1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine
SMILESCC(CCn1nc(NCCCN2CCCCC2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C24H39N5/c1-21(28-18-8-3-9-19-28)13-20-29-23-12-5-4-11-22(23)24(26-29)25-14-10-17-27-15-6-2-7-16-27/h4-5,11-12,21H,2-3,6-10,13-20H2,1H3,(H,25,26)
InChIKeyCCEYDLKSJSHNSQ-UHFFFAOYSA-N
MW397.61 g/mol
LogP4.59
Rot. Bonds9

About 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine

1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine (PubChem CID 3021356) has the molecular formula C24H39N5 and a molecular weight of 397.61 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine.

Molecular Properties

Compound Name1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine
PubChem CID3021356
Molecular FormulaC24H39N5
Molecular Weight397.61 g/mol
Exact Mass397.32
IUPAC Name1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine
SMILESCC(CCn1nc(NCCCN2CCCCC2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C24H39N5/c1-21(28-18-8-3-9-19-28)13-20-29-23-12-5-4-11-22(23)24(26-29)25-14-10-17-27-15-6-2-7-16-27/h4-5,11-12,21H,2-3,6-10,13-20H2,1H3,(H,25,26)
InChIKeyCCEYDLKSJSHNSQ-UHFFFAOYSA-N
XLogP4.59
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.61
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine?
The IUPAC name of 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine (CID 3021356) is 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine.
What is the SMILES notation for 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine?
The canonical SMILES for 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine is CC(CCn1nc(NCCCN2CCCCC2)c2ccccc21)N1CCCCC1.
What is the InChIKey of 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine?
The InChIKey is CCEYDLKSJSHNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5/c1-21(28-18-8-3-9-19-28)13-20-29-23-12-5-4-11-22(23)24(26-29)25-14-10-17-27-15-6-2-7-16-27/h4-5,11-12,21H,2-3,6-10,13-20H2,1H3,(H,25,26).
What are the key properties of 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine?
1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine has a molecular weight of 397.61 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylbutyl)-N-(3-piperidin-1-ylpropyl)indazol-3-amine is sourced from PubChem (CID 3021356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).