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

C33H42N6O2 — CID 24881689

IUPACN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)CCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1
InChIInChI=1S/C33H42N6O2/c1-38-14-10-22(11-15-38)28-20-34-30-8-6-24(18-26(28)30)36-32(40)4-3-5-33(41)37-25-7-9-31-27(19-25)29(21-35-31)23-12-16-39(2)17-13-23/h6-9,18-23,34-35H,3-5,10-17H2,1-2H3,(H,36,40)(H,37,41)
InChIKeyJNTCRFXUAJQADD-UHFFFAOYSA-N
MW554.74 g/mol
LogP6.02
Rot. Bonds8

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

N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide (PubChem CID 24881689) has the molecular formula C33H42N6O2 and a molecular weight of 554.74 g/mol. Its IUPAC name is N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide
PubChem CID24881689
Molecular FormulaC33H42N6O2
Molecular Weight554.74 g/mol
Exact Mass554.34
IUPAC NameN,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)CCCC(=O)Nc4ccc5[nH]cc(C6CCN(C)CC6)c5c4)cc23)CC1
InChIInChI=1S/C33H42N6O2/c1-38-14-10-22(11-15-38)28-20-34-30-8-6-24(18-26(28)30)36-32(40)4-3-5-33(41)37-25-7-9-31-27(19-25)29(21-35-31)23-12-16-39(2)17-13-23/h6-9,18-23,34-35H,3-5,10-17H2,1-2H3,(H,36,40)(H,37,41)
InChIKeyJNTCRFXUAJQADD-UHFFFAOYSA-N
XLogP6.02
TPSA96.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 56.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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]pentanediamide?
The IUPAC name of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide (CID 24881689) is N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide.
What is the SMILES notation for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide?
The canonical SMILES for N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide is CN1CCC(c2c[nH]c3ccc(NC(=O)CCCC(=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]pentanediamide?
The InChIKey is JNTCRFXUAJQADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O2/c1-38-14-10-22(11-15-38)28-20-34-30-8-6-24(18-26(28)30)36-32(40)4-3-5-33(41)37-25-7-9-31-27(19-25)29(21-35-31)23-12-16-39(2)17-13-23/h6-9,18-23,34-35H,3-5,10-17H2,1-2H3,(H,36,40)(H,37,41).
What are the key properties of N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide?
N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentanediamide has a molecular weight of 554.74 g/mol, XLogP of 6.02, 8 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]pentanediamide is sourced from PubChem (CID 24881689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).