2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide

C15H16FN3O2 — CID 62092644

IUPAC2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide
SMILESNCC#Cc1cc(F)ccc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C15H16FN3O2/c16-11-5-6-12(10(9-11)3-1-7-17)14(20)19-13-4-2-8-18-15(13)21/h5-6,9,13H,2,4,7-8,17H2,(H,18,21)(H,19,20)
InChIKeyWFZYPZCAGMUZBW-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.14
Rot. Bonds2

About 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide

2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 62092644) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID62092644
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide
SMILESNCC#Cc1cc(F)ccc1C(=O)NC1CCCNC1=O
InChIInChI=1S/C15H16FN3O2/c16-11-5-6-12(10(9-11)3-1-7-17)14(20)19-13-4-2-8-18-15(13)21/h5-6,9,13H,2,4,7-8,17H2,(H,18,21)(H,19,20)
InChIKeyWFZYPZCAGMUZBW-UHFFFAOYSA-N
XLogP0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.14
H-Bond Donors ≤ 53
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)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
CID 43704077
3-(3-aminoprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 107524262
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716084
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197553
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1H-imidazol-2-yl)benzamide
CID 55213944
methyl 2-[[2-(3-aminoprop-1-ynyl)-4-fluorobenzoyl]amino]acetate
CID 60820642
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide (CID 62092644) is 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide is NCC#Cc1cc(F)ccc1C(=O)NC1CCCNC1=O.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is WFZYPZCAGMUZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-5-6-12(10(9-11)3-1-7-17)14(20)19-13-4-2-8-18-15(13)21/h5-6,9,13H,2,4,7-8,17H2,(H,18,21)(H,19,20).
What are the key properties of 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide?
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 289.31 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-4-fluoro-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 62092644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).