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

C27H37N5 — CID 140939111

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
SMILESCCN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C27H37N5/c1-2-30-16-18-31(19-17-30)15-12-28-24-10-13-32(14-11-24)25-8-5-7-22(20-25)27-21-23-6-3-4-9-26(23)29-27/h3-9,20-21,24,28-29H,2,10-19H2,1H3
InChIKeyNQQOVGJHJIABGB-UHFFFAOYSA-N
MW431.63 g/mol
LogP4.03
Rot. Bonds7

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

N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine (PubChem CID 140939111) has the molecular formula C27H37N5 and a molecular weight of 431.63 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
PubChem CID140939111
Molecular FormulaC27H37N5
Molecular Weight431.63 g/mol
Exact Mass431.30
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
SMILESCCN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C27H37N5/c1-2-30-16-18-31(19-17-30)15-12-28-24-10-13-32(14-11-24)25-8-5-7-22(20-25)27-21-23-6-3-4-9-26(23)29-27/h3-9,20-21,24,28-29H,2,10-19H2,1H3
InChIKeyNQQOVGJHJIABGB-UHFFFAOYSA-N
XLogP4.03
TPSA37.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine (CID 140939111) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine is CCN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is NQQOVGJHJIABGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5/c1-2-30-16-18-31(19-17-30)15-12-28-24-10-13-32(14-11-24)25-8-5-7-22(20-25)27-21-23-6-3-4-9-26(23)29-27/h3-9,20-21,24,28-29H,2,10-19H2,1H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 431.63 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 140939111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).