N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine

C32H39N5 — CID 140939089

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
SMILESc1ccc(CN2CCN(CCNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CC2)cc1
InChIInChI=1S/C32H39N5/c1-2-7-26(8-3-1)25-36-21-19-35(20-22-36)18-15-33-29-13-16-37(17-14-29)30-11-6-10-27(23-30)32-24-28-9-4-5-12-31(28)34-32/h1-12,23-24,29,33-34H,13-22,25H2
InChIKeyHXXWFJHFHZROCP-UHFFFAOYSA-N
MW493.70 g/mol
LogP5.21
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine

N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine (PubChem CID 140939089) has the molecular formula C32H39N5 and a molecular weight of 493.70 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
PubChem CID140939089
Molecular FormulaC32H39N5
Molecular Weight493.70 g/mol
Exact Mass493.32
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
SMILESc1ccc(CN2CCN(CCNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CC2)cc1
InChIInChI=1S/C32H39N5/c1-2-7-26(8-3-1)25-36-21-19-35(20-22-36)18-15-33-29-13-16-37(17-14-29)30-11-6-10-27(23-30)32-24-28-9-4-5-12-31(28)34-32/h1-12,23-24,29,33-34H,13-22,25H2
InChIKeyHXXWFJHFHZROCP-UHFFFAOYSA-N
XLogP5.21
TPSA37.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 140939166
N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 140939087
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
CID 140939169
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
2-[3-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 140939080
N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 165045133
2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylidene]piperidin-1-yl]phenyl]-1H-indole
CID 140939103

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine (CID 140939089) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine is c1ccc(CN2CCN(CCNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CC2)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is HXXWFJHFHZROCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5/c1-2-7-26(8-3-1)25-36-21-19-35(20-22-36)18-15-33-29-13-16-37(17-14-29)30-11-6-10-27(23-30)32-24-28-9-4-5-12-31(28)34-32/h1-12,23-24,29,33-34H,13-22,25H2.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 493.70 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 140939089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).