N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C28H36N4 — CID 140939087

IUPACN-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NC1CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC1)C2
InChIInChI=1S/C28H36N4/c1-31-24-8-5-9-25(31)19-23(18-24)29-22-12-14-32(15-13-22)26-10-4-7-20(16-26)28-17-21-6-2-3-11-27(21)30-28/h2-4,6-7,10-11,16-17,22-25,29-30H,5,8-9,12-15,18-19H2,1H3
InChIKeyDSSFOQPHTDXLSN-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.41
Rot. Bonds4

About N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 140939087) has the molecular formula C28H36N4 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID140939087
Molecular FormulaC28H36N4
Molecular Weight428.62 g/mol
Exact Mass428.29
IUPAC NameN-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(NC1CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC1)C2
InChIInChI=1S/C28H36N4/c1-31-24-8-5-9-25(31)19-23(18-24)29-22-12-14-32(15-13-22)26-10-4-7-20(16-26)28-17-21-6-2-3-11-27(21)30-28/h2-4,6-7,10-11,16-17,22-25,29-30H,5,8-9,12-15,18-19H2,1H3
InChIKeyDSSFOQPHTDXLSN-UHFFFAOYSA-N
XLogP5.41
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
CID 140939169
1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 140939060
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939133
1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 146536104
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939089
methyl 2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carboxylate
CID 140939053
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazin-1-amine
CID 149188584
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 140939166
2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylidene]piperidin-1-yl]phenyl]-1H-indole
CID 140939103
N-cyclobutyl-1-phenylpiperidin-4-amine
CID 103901830

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 140939087) is N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(NC1CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC1)C2.
What is the InChIKey of N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DSSFOQPHTDXLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4/c1-31-24-8-5-9-25(31)19-23(18-24)29-22-12-14-32(15-13-22)26-10-4-7-20(16-26)28-17-21-6-2-3-11-27(21)30-28/h2-4,6-7,10-11,16-17,22-25,29-30H,5,8-9,12-15,18-19H2,1H3.
What are the key properties of N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 428.62 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 140939087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).