5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile

C15H18FN3O — CID 107936927

IUPAC5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile
SMILESCC(C)N1C(=O)CCC(N)C1c1ccc(F)c(C#N)c1
InChIInChI=1S/C15H18FN3O/c1-9(2)19-14(20)6-5-13(18)15(19)10-3-4-12(16)11(7-10)8-17/h3-4,7,9,13,15H,5-6,18H2,1-2H3
InChIKeyQZAOIHGFCWLLFB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.10
Rot. Bonds2

About 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile

5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile (PubChem CID 107936927) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile
PubChem CID107936927
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile
SMILESCC(C)N1C(=O)CCC(N)C1c1ccc(F)c(C#N)c1
InChIInChI=1S/C15H18FN3O/c1-9(2)19-14(20)6-5-13(18)15(19)10-3-4-12(16)11(7-10)8-17/h3-4,7,9,13,15H,5-6,18H2,1-2H3
InChIKeyQZAOIHGFCWLLFB-UHFFFAOYSA-N
XLogP2.10
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile 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

5-(3-amino-1-propan-2-ylazepan-2-yl)-2-fluorobenzonitrile
CID 107936990
5-amino-6-(3,5-difluorophenyl)-1-propan-2-ylpiperidin-2-one
CID 106534346
5-[3-amino-1-(2-methylpropyl)-5-oxopyrrolidin-2-yl]-2-fluorobenzonitrile
CID 107936946
5-(3-amino-1-methylpiperidin-2-yl)-2-fluorobenzonitrile
CID 107936960
5-amino-6-(6-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-2-one
CID 104823745
(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
CID 95359014
6-amino-7-(3-chloro-5-fluorophenyl)-1-propan-2-ylazepan-2-one
CID 114454804
2-(3-chloro-4-fluorophenyl)-6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
CID 81160397
5-amino-6-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-2-one
CID 81441259
5-(3-amino-1-propan-2-ylazepan-2-yl)-2-methoxybenzonitrile
CID 65341186
2-fluoro-5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]benzonitrile
CID 107880293
5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 65101170

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile?
The IUPAC name of 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile (CID 107936927) is 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile is CC(C)N1C(=O)CCC(N)C1c1ccc(F)c(C#N)c1.
What is the InChIKey of 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile?
The InChIKey is QZAOIHGFCWLLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9(2)19-14(20)6-5-13(18)15(19)10-3-4-12(16)11(7-10)8-17/h3-4,7,9,13,15H,5-6,18H2,1-2H3.
What are the key properties of 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile?
5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile has a molecular weight of 275.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-6-oxo-1-propan-2-ylpiperidin-2-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 107936927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).