N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C22H28N4 — CID 42241236

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCc1[nH]c2ccc(CNC3CCN(Cc4ccccn4)CC3)cc2c1C
InChIInChI=1S/C22H28N4/c1-16-17(2)25-22-7-6-18(13-21(16)22)14-24-19-8-11-26(12-9-19)15-20-5-3-4-10-23-20/h3-7,10,13,19,24-25H,8-9,11-12,14-15H2,1-2H3
InChIKeyNXIKYRCRFUTECL-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.93
Rot. Bonds5

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 42241236) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID42241236
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCc1[nH]c2ccc(CNC3CCN(Cc4ccccn4)CC3)cc2c1C
InChIInChI=1S/C22H28N4/c1-16-17(2)25-22-7-6-18(13-21(16)22)14-24-19-8-11-26(12-9-19)15-20-5-3-4-10-23-20/h3-7,10,13,19,24-25H,8-9,11-12,14-15H2,1-2H3
InChIKeyNXIKYRCRFUTECL-UHFFFAOYSA-N
XLogP3.93
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 42241236) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is Cc1[nH]c2ccc(CNC3CCN(Cc4ccccn4)CC3)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is NXIKYRCRFUTECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-16-17(2)25-22-7-6-18(13-21(16)22)14-24-19-8-11-26(12-9-19)15-20-5-3-4-10-23-20/h3-7,10,13,19,24-25H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 348.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 42241236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).