2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide

C15H18FN3O — CID 83022965

IUPAC2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide
SMILESNCC#Cc1ccc(F)cc1C(=O)NN1CCCCC1
InChIInChI=1S/C15H18FN3O/c16-13-7-6-12(5-4-8-17)14(11-13)15(20)18-19-9-2-1-3-10-19/h6-7,11H,1-3,8-10,17H2,(H,18,20)
InChIKeyIRBNNRWBPSLNIE-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.27
Rot. Bonds2

About 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide

2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide (PubChem CID 83022965) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide
PubChem CID83022965
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide
SMILESNCC#Cc1ccc(F)cc1C(=O)NN1CCCCC1
InChIInChI=1S/C15H18FN3O/c16-13-7-6-12(5-4-8-17)14(11-13)15(20)18-19-9-2-1-3-10-19/h6-7,11H,1-3,8-10,17H2,(H,18,20)
InChIKeyIRBNNRWBPSLNIE-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471
2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
CID 60822341
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-fluorobenzamide
CID 83114793
[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(azocan-1-yl)methanone
CID 60822124
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclopentyl)-5-fluorobenzamide
CID 79871456
4-(3-aminoprop-1-ynyl)-N-piperidin-1-ylbenzamide
CID 83022536
2-[[2-(3-aminoprop-1-ynyl)-5-fluorobenzoyl]amino]ethyl carbamate
CID 83203785
2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
CID 60821499
[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60821507
3-(3-aminoprop-1-ynyl)-4-methoxy-N-piperidin-1-ylbenzamide
CID 83015977
azepan-1-yl-[5-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60816592
2-(3-aminoprop-1-ynyl)-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60822004

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide (CID 83022965) is 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide is NCC#Cc1ccc(F)cc1C(=O)NN1CCCCC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide?
The InChIKey is IRBNNRWBPSLNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-7-6-12(5-4-8-17)14(11-13)15(20)18-19-9-2-1-3-10-19/h6-7,11H,1-3,8-10,17H2,(H,18,20).
What are the key properties of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide?
2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide has a molecular weight of 275.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83022965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).