N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine

C22H37N5 — CID 3021348

IUPACN',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nn(CCCN2CCCCC2)c2ccccc12
InChIInChI=1S/C22H37N5/c1-3-25(4-2)17-10-14-23-22-20-12-6-7-13-21(20)27(24-22)19-11-18-26-15-8-5-9-16-26/h6-7,12-13H,3-5,8-11,14-19H2,1-2H3,(H,23,24)
InChIKeyQTFFWFFBJXECPR-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.06
Rot. Bonds11

About N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine

N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine (PubChem CID 3021348) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine
PubChem CID3021348
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC NameN',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nn(CCCN2CCCCC2)c2ccccc12
InChIInChI=1S/C22H37N5/c1-3-25(4-2)17-10-14-23-22-20-12-6-7-13-21(20)27(24-22)19-11-18-26-15-8-5-9-16-26/h6-7,12-13H,3-5,8-11,14-19H2,1-2H3,(H,23,24)
InChIKeyQTFFWFFBJXECPR-UHFFFAOYSA-N
XLogP4.06
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.06
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 N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine (CID 3021348) is N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine is CCN(CC)CCCNc1nn(CCCN2CCCCC2)c2ccccc12.
What is the InChIKey of N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine?
The InChIKey is QTFFWFFBJXECPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5/c1-3-25(4-2)17-10-14-23-22-20-12-6-7-13-21(20)27(24-22)19-11-18-26-15-8-5-9-16-26/h6-7,12-13H,3-5,8-11,14-19H2,1-2H3,(H,23,24).
What are the key properties of N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine?
N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine has a molecular weight of 371.57 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(3-piperidin-1-ylpropyl)indazol-3-yl]propane-1,3-diamine is sourced from PubChem (CID 3021348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).