N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine

C22H28N4 — CID 75382409

IUPACN-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCCCn3ccc4ccccc43)CC2)nc1
InChIInChI=1S/C22H28N4/c1-2-8-22-19(6-1)9-17-26(22)14-5-13-23-20-10-15-25(16-11-20)18-21-7-3-4-12-24-21/h1-4,6-9,12,17,20,23H,5,10-11,13-16,18H2
InChIKeyDKKITYXFKNDLBH-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.68
Rot. Bonds7

About N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 75382409) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID75382409
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESc1ccc(CN2CCC(NCCCn3ccc4ccccc43)CC2)nc1
InChIInChI=1S/C22H28N4/c1-2-8-22-19(6-1)9-17-26(22)14-5-13-23-20-10-15-25(16-11-20)18-21-7-3-4-12-24-21/h1-4,6-9,12,17,20,23H,5,10-11,13-16,18H2
InChIKeyDKKITYXFKNDLBH-UHFFFAOYSA-N
XLogP3.68
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 75382409) is N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine is c1ccc(CN2CCC(NCCCn3ccc4ccccc43)CC2)nc1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is DKKITYXFKNDLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-2-8-22-19(6-1)9-17-26(22)14-5-13-23-20-10-15-25(16-11-20)18-21-7-3-4-12-24-21/h1-4,6-9,12,17,20,23H,5,10-11,13-16,18H2.
What are the key properties of N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 348.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 75382409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).