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

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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).