1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea

C20H30N4O — CID 112806234

IUPAC1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCCC1)NCCCn1ccc2ccccc21
InChIInChI=1S/C20H30N4O/c25-20(21-11-6-15-23-13-4-1-5-14-23)22-12-7-16-24-17-10-18-8-2-3-9-19(18)24/h2-3,8-10,17H,1,4-7,11-16H2,(H2,21,22,25)
InChIKeyUGVQGYFTUUTBDB-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.21
Rot. Bonds8

About 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea

1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea (PubChem CID 112806234) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
PubChem CID112806234
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCCC1)NCCCn1ccc2ccccc21
InChIInChI=1S/C20H30N4O/c25-20(21-11-6-15-23-13-4-1-5-14-23)22-12-7-16-24-17-10-18-8-2-3-9-19(18)24/h2-3,8-10,17H,1,4-7,11-16H2,(H2,21,22,25)
InChIKeyUGVQGYFTUUTBDB-UHFFFAOYSA-N
XLogP3.21
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 78882953
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
CID 16614939
1-hydroxy-N-(3-indol-1-ylpropyl)cyclopentane-1-carboxamide
CID 110907067
N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 110933615
1-(3-indol-1-ylpropyl)-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111341528
N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide
CID 71899025
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
1-[[4-(dimethylamino)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 52546228

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea (CID 112806234) is 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea is O=C(NCCCN1CCCCC1)NCCCn1ccc2ccccc21.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea?
The InChIKey is UGVQGYFTUUTBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-20(21-11-6-15-23-13-4-1-5-14-23)22-12-7-16-24-17-10-18-8-2-3-9-19(18)24/h2-3,8-10,17H,1,4-7,11-16H2,(H2,21,22,25).
What are the key properties of 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea?
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea has a molecular weight of 342.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 112806234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).