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

C41H58N6O2 — CID 24881753

IUPACN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1
InChIInChI=1S/C41H58N6O2/c1-46-22-18-30(19-23-46)36-28-42-38-16-14-32(26-34(36)38)44-40(48)12-10-8-6-4-3-5-7-9-11-13-41(49)45-33-15-17-39-35(27-33)37(29-43-39)31-20-24-47(2)25-21-31/h14-17,26-31,42-43H,3-13,18-25H2,1-2H3,(H,44,48)(H,45,49)
InChIKeyBQCCESCADFCCQW-UHFFFAOYSA-N
MW666.95 g/mol
LogP9.14
Rot. Bonds16

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

N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide (PubChem CID 24881753) has the molecular formula C41H58N6O2 and a molecular weight of 666.95 g/mol. Its IUPAC name is N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide
PubChem CID24881753
Molecular FormulaC41H58N6O2
Molecular Weight666.95 g/mol
Exact Mass666.46
IUPAC NameN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1
InChIInChI=1S/C41H58N6O2/c1-46-22-18-30(19-23-46)36-28-42-38-16-14-32(26-34(36)38)44-40(48)12-10-8-6-4-3-5-7-9-11-13-41(49)45-33-15-17-39-35(27-33)37(29-43-39)31-20-24-47(2)25-21-31/h14-17,26-31,42-43H,3-13,18-25H2,1-2H3,(H,44,48)(H,45,49)
InChIKeyBQCCESCADFCCQW-UHFFFAOYSA-N
XLogP9.14
TPSA96.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.95
LogP ≤ 59.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide?
The IUPAC name of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide (CID 24881753) is N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide.
What is the SMILES notation for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide?
The canonical SMILES for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide is CN1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCC(=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]tridecanediamide?
The InChIKey is BQCCESCADFCCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H58N6O2/c1-46-22-18-30(19-23-46)36-28-42-38-16-14-32(26-34(36)38)44-40(48)12-10-8-6-4-3-5-7-9-11-13-41(49)45-33-15-17-39-35(27-33)37(29-43-39)31-20-24-47(2)25-21-31/h14-17,26-31,42-43H,3-13,18-25H2,1-2H3,(H,44,48)(H,45,49).
What are the key properties of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide?
N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]tridecanediamide has a molecular weight of 666.95 g/mol, XLogP of 9.14, 16 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]tridecanediamide is sourced from PubChem (CID 24881753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).