1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid

C18H22FN3O3 — CID 122013428

IUPAC1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H22FN3O3/c19-14-3-4-16-15(10-14)13(11-21-16)2-1-7-20-18(25)22-8-5-12(6-9-22)17(23)24/h3-4,10-12,21H,1-2,5-9H2,(H,20,25)(H,23,24)
InChIKeyZJGJRFRFIUZJAT-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.75
Rot. Bonds5

About 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid

1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122013428) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122013428
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C18H22FN3O3/c19-14-3-4-16-15(10-14)13(11-21-16)2-1-7-20-18(25)22-8-5-12(6-9-22)17(23)24/h3-4,10-12,21H,1-2,5-9H2,(H,20,25)(H,23,24)
InChIKeyZJGJRFRFIUZJAT-UHFFFAOYSA-N
XLogP2.75
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 86900823
[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 169087243
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014659
N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71925653
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122013321

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid (CID 122013428) is 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZJGJRFRFIUZJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-14-3-4-16-15(10-14)13(11-21-16)2-1-7-20-18(25)22-8-5-12(6-9-22)17(23)24/h3-4,10-12,21H,1-2,5-9H2,(H,20,25)(H,23,24).
What are the key properties of 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid?
1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 347.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-1H-indol-3-yl)propylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122013428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).