N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide

C43H62N6O2 — CID 24881754

IUPACN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1
InChIInChI=1S/C43H62N6O2/c1-48-24-20-32(21-25-48)38-30-44-40-18-16-34(28-36(38)40)46-42(50)14-12-10-8-6-4-3-5-7-9-11-13-15-43(51)47-35-17-19-41-37(29-35)39(31-45-41)33-22-26-49(2)27-23-33/h16-19,28-33,44-45H,3-15,20-27H2,1-2H3,(H,46,50)(H,47,51)
InChIKeyWGAOUQYJBXVTHD-UHFFFAOYSA-N
MW695.01 g/mol
LogP9.92
Rot. Bonds18

About N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide

N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide (PubChem CID 24881754) has the molecular formula C43H62N6O2 and a molecular weight of 695.01 g/mol. Its IUPAC name is N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide
PubChem CID24881754
Molecular FormulaC43H62N6O2
Molecular Weight695.01 g/mol
Exact Mass694.49
IUPAC NameN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1
InChIInChI=1S/C43H62N6O2/c1-48-24-20-32(21-25-48)38-30-44-40-18-16-34(28-36(38)40)46-42(50)14-12-10-8-6-4-3-5-7-9-11-13-15-43(51)47-35-17-19-41-37(29-35)39(31-45-41)33-22-26-49(2)27-23-33/h16-19,28-33,44-45H,3-15,20-27H2,1-2H3,(H,46,50)(H,47,51)
InChIKeyWGAOUQYJBXVTHD-UHFFFAOYSA-N
XLogP9.92
TPSA96.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.01
LogP ≤ 59.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide?
The IUPAC name of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide (CID 24881754) is N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide.
What is the SMILES notation for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide?
The canonical SMILES for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide is CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1.
What is the InChIKey of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide?
The InChIKey is WGAOUQYJBXVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H62N6O2/c1-48-24-20-32(21-25-48)38-30-44-40-18-16-34(28-36(38)40)46-42(50)14-12-10-8-6-4-3-5-7-9-11-13-15-43(51)47-35-17-19-41-37(29-35)39(31-45-41)33-22-26-49(2)27-23-33/h16-19,28-33,44-45H,3-15,20-27H2,1-2H3,(H,46,50)(H,47,51).
What are the key properties of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide?
N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide has a molecular weight of 695.01 g/mol, XLogP of 9.92, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide is sourced from PubChem (CID 24881754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).