3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine

C26H31N5 — CID 53494589

IUPAC3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine
SMILESc1cc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2[nH]cc(C3CCNCC3)c2c1
InChIInChI=1S/C26H31N5/c1-3-21-23(17-5-9-27-10-6-17)15-30-26(21)14-20(1)31-19-2-4-25-22(13-19)24(16-29-25)18-7-11-28-12-8-18/h1-4,13-18,27-31H,5-12H2
InChIKeySZYRVOWDSLCVPK-UHFFFAOYSA-N
MW413.57 g/mol
LogP5.33
Rot. Bonds4

About 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine

3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine (PubChem CID 53494589) has the molecular formula C26H31N5 and a molecular weight of 413.57 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine
PubChem CID53494589
Molecular FormulaC26H31N5
Molecular Weight413.57 g/mol
Exact Mass413.26
IUPAC Name3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine
SMILESc1cc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2[nH]cc(C3CCNCC3)c2c1
InChIInChI=1S/C26H31N5/c1-3-21-23(17-5-9-27-10-6-17)15-30-26(21)14-20(1)31-19-2-4-25-22(13-19)24(16-29-25)18-7-11-28-12-8-18/h1-4,13-18,27-31H,5-12H2
InChIKeySZYRVOWDSLCVPK-UHFFFAOYSA-N
XLogP5.33
TPSA67.67 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 55.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine?
The IUPAC name of 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine (CID 53494589) is 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine.
What is the SMILES notation for 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine?
The canonical SMILES for 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine is c1cc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2[nH]cc(C3CCNCC3)c2c1.
What is the InChIKey of 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine?
The InChIKey is SZYRVOWDSLCVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5/c1-3-21-23(17-5-9-27-10-6-17)15-30-26(21)14-20(1)31-19-2-4-25-22(13-19)24(16-29-25)18-7-11-28-12-8-18/h1-4,13-18,27-31H,5-12H2.
What are the key properties of 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine?
3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine has a molecular weight of 413.57 g/mol, XLogP of 5.33, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(3-piperidin-4-yl-1H-indol-5-yl)-1H-indol-6-amine is sourced from PubChem (CID 53494589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).