5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one

C16H23FN2O2 — CID 65101170

IUPAC5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(C2C(N)CCC(=O)N2C(C)(C)C)cc1F
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)19-14(20)8-6-12(18)15(19)10-5-7-13(21-4)11(17)9-10/h5,7,9,12,15H,6,8,18H2,1-4H3
InChIKeyIQIQPLKOJFKXLS-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.62
Rot. Bonds2

About 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one

5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one (PubChem CID 65101170) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one
PubChem CID65101170
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(C2C(N)CCC(=O)N2C(C)(C)C)cc1F
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)19-14(20)8-6-12(18)15(19)10-5-7-13(21-4)11(17)9-10/h5,7,9,12,15H,6,8,18H2,1-4H3
InChIKeyIQIQPLKOJFKXLS-UHFFFAOYSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-tert-butyl-5-(3-chloro-4-methoxyphenyl)pyrrolidin-2-one
CID 65021842
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine
CID 65101555
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
5-amino-6-(3-ethoxy-4-methoxyphenyl)-1-methylpiperidin-2-one
CID 82193325
[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 65101265
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
5-amino-6-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-2-one
CID 81441259
tert-butyl (3S,4R)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
CID 95566620

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one?
The IUPAC name of 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one (CID 65101170) is 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one is COc1ccc(C2C(N)CCC(=O)N2C(C)(C)C)cc1F.
What is the InChIKey of 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one?
The InChIKey is IQIQPLKOJFKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)19-14(20)8-6-12(18)15(19)10-5-7-13(21-4)11(17)9-10/h5,7,9,12,15H,6,8,18H2,1-4H3.
What are the key properties of 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one?
5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one has a molecular weight of 294.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-6-(3-fluoro-4-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 65101170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).