1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one

C19H22N2O — CID 70938100

IUPAC1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one
SMILESCN1C(=O)C(c2ccc(-c3ccccc3)cn2)CCC1(C)C
InChIInChI=1S/C19H22N2O/c1-19(2)12-11-16(18(22)21(19)3)17-10-9-15(13-20-17)14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3
InChIKeyUODIIZUIQBNSJY-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.86
Rot. Bonds2

About 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one

1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one (PubChem CID 70938100) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one.

Molecular Properties

Compound Name1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one
PubChem CID70938100
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one
SMILESCN1C(=O)C(c2ccc(-c3ccccc3)cn2)CCC1(C)C
InChIInChI=1S/C19H22N2O/c1-19(2)12-11-16(18(22)21(19)3)17-10-9-15(13-20-17)14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3
InChIKeyUODIIZUIQBNSJY-UHFFFAOYSA-N
XLogP3.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one?
The IUPAC name of 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one (CID 70938100) is 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one.
What is the SMILES notation for 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one?
The canonical SMILES for 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one is CN1C(=O)C(c2ccc(-c3ccccc3)cn2)CCC1(C)C.
What is the InChIKey of 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one?
The InChIKey is UODIIZUIQBNSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2)12-11-16(18(22)21(19)3)17-10-9-15(13-20-17)14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one?
1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one is sourced from PubChem (CID 70938100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).