N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C20H28N4O — CID 71925653

IUPACN-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)NCCCc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C20H28N4O/c1-23-16-8-9-17(23)14-24(12-10-16)20(25)21-11-4-5-15-13-22-19-7-3-2-6-18(15)19/h2-3,6-7,13,16-17,22H,4-5,8-12,14H2,1H3,(H,21,25)
InChIKeyZABAIVGEFLOZSH-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.98
Rot. Bonds4

About N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 71925653) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID71925653
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCN1C2CCC1CN(C(=O)NCCCc1c[nH]c3ccccc13)CC2
InChIInChI=1S/C20H28N4O/c1-23-16-8-9-17(23)14-24(12-10-16)20(25)21-11-4-5-15-13-22-19-7-3-2-6-18(15)19/h2-3,6-7,13,16-17,22H,4-5,8-12,14H2,1H3,(H,21,25)
InChIKeyZABAIVGEFLOZSH-UHFFFAOYSA-N
XLogP2.98
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide with MolForge

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Related Compounds

1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119065686
methyl 4-[[N-[3-(1H-indol-3-yl)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111984563
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
(1S,6R)-9-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 95908517
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725817
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
(1R,5S)-3-[4-(1H-indol-3-yl)butanoyl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133120396
N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427030
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 71925653) is N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CN1C2CCC1CN(C(=O)NCCCc1c[nH]c3ccccc13)CC2.
What is the InChIKey of N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is ZABAIVGEFLOZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-23-16-8-9-17(23)14-24(12-10-16)20(25)21-11-4-5-15-13-22-19-7-3-2-6-18(15)19/h2-3,6-7,13,16-17,22H,4-5,8-12,14H2,1H3,(H,21,25).
What are the key properties of N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 71925653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).