3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one

C19H24N2O2 — CID 173058396

IUPAC3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1cc(ON2CCC(c3ccc[nH]c3=O)CC2)cc(C)c1C
InChIInChI=1S/C19H24N2O2/c1-13-11-17(12-14(2)15(13)3)23-21-9-6-16(7-10-21)18-5-4-8-20-19(18)22/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3,(H,20,22)
InChIKeyKPJWILNZCQPQJP-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.47
Rot. Bonds3

About 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one

3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 173058396) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID173058396
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1cc(ON2CCC(c3ccc[nH]c3=O)CC2)cc(C)c1C
InChIInChI=1S/C19H24N2O2/c1-13-11-17(12-14(2)15(13)3)23-21-9-6-16(7-10-21)18-5-4-8-20-19(18)22/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3,(H,20,22)
InChIKeyKPJWILNZCQPQJP-UHFFFAOYSA-N
XLogP3.47
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one (CID 173058396) is 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one is Cc1cc(ON2CCC(c3ccc[nH]c3=O)CC2)cc(C)c1C.
What is the InChIKey of 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is KPJWILNZCQPQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-11-17(12-14(2)15(13)3)23-21-9-6-16(7-10-21)18-5-4-8-20-19(18)22/h4-5,8,11-12,16H,6-7,9-10H2,1-3H3,(H,20,22).
What are the key properties of 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one?
3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4,5-trimethylphenoxy)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 173058396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).