2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole

C24H30N4 — CID 140939131

IUPAC2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
SMILESCN1CCN(C2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C24H30N4/c1-26-13-15-28(16-14-26)21-9-11-27(12-10-21)22-7-4-6-19(17-22)24-18-20-5-2-3-8-23(20)25-24/h2-8,17-18,21,25H,9-16H2,1H3
InChIKeyHYFMNUUNCPTZBO-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.05
Rot. Bonds3

About 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole

2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole (PubChem CID 140939131) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole.

Molecular Properties

Compound Name2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
PubChem CID140939131
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
SMILESCN1CCN(C2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C24H30N4/c1-26-13-15-28(16-14-26)21-9-11-27(12-10-21)22-7-4-6-19(17-22)24-18-20-5-2-3-8-23(20)25-24/h2-8,17-18,21,25H,9-16H2,1H3
InChIKeyHYFMNUUNCPTZBO-UHFFFAOYSA-N
XLogP4.05
TPSA25.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 140939087
1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 140939060
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
CID 140939169
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 146536104
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939089
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939133
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylidene]piperidin-1-yl]phenyl]-1H-indole
CID 140939103
2-[2-chloro-5-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]-1H-benzimidazole
CID 59568353
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole?
The IUPAC name of 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole (CID 140939131) is 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole.
What is the SMILES notation for 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole?
The canonical SMILES for 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole is CN1CCN(C2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole?
The InChIKey is HYFMNUUNCPTZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-26-13-15-28(16-14-26)21-9-11-27(12-10-21)22-7-4-6-19(17-22)24-18-20-5-2-3-8-23(20)25-24/h2-8,17-18,21,25H,9-16H2,1H3.
What are the key properties of 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole?
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole has a molecular weight of 374.53 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole is sourced from PubChem (CID 140939131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).