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

C26H35N5 — CID 140939054

IUPAC1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C26H35N5/c1-29-15-17-30(18-16-29)14-11-27-23-9-12-31(13-10-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)28-26/h2-8,19-20,23,27-28H,9-18H2,1H3
InChIKeyFBJWOURZFOUGCH-UHFFFAOYSA-N
MW417.60 g/mol
LogP3.64
Rot. Bonds6

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

1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 140939054) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
PubChem CID140939054
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC Name1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C26H35N5/c1-29-15-17-30(18-16-29)14-11-27-23-9-12-31(13-10-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)28-26/h2-8,19-20,23,27-28H,9-18H2,1H3
InChIKeyFBJWOURZFOUGCH-UHFFFAOYSA-N
XLogP3.64
TPSA37.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 140939054) is 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine is CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is FBJWOURZFOUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5/c1-29-15-17-30(18-16-29)14-11-27-23-9-12-31(13-10-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)28-26/h2-8,19-20,23,27-28H,9-18H2,1H3.
What are the key properties of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 417.60 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 140939054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).