6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one

C12H16N2O — CID 88625956

IUPAC6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one
SMILES[2H]C1CCC(CC)(c2ccncc2)C(=O)N1
InChIInChI=1S/C12H16N2O/c1-2-12(6-3-7-14-11(12)15)10-4-8-13-9-5-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)/i7D
InChIKeyFSHCERAPJQEXRG-WHRKIXHSSA-N
MW205.28 g/mol
LogP1.64
Rot. Bonds2

About 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one

6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one (PubChem CID 88625956) has the molecular formula C12H16N2O and a molecular weight of 205.28 g/mol. Its IUPAC name is 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one.

Molecular Properties

Compound Name6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one
PubChem CID88625956
Molecular FormulaC12H16N2O
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one
SMILES[2H]C1CCC(CC)(c2ccncc2)C(=O)N1
InChIInChI=1S/C12H16N2O/c1-2-12(6-3-7-14-11(12)15)10-4-8-13-9-5-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)/i7D
InChIKeyFSHCERAPJQEXRG-WHRKIXHSSA-N
XLogP1.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one?
The IUPAC name of 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one (CID 88625956) is 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one.
What is the SMILES notation for 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one?
The canonical SMILES for 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one is [2H]C1CCC(CC)(c2ccncc2)C(=O)N1.
What is the InChIKey of 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one?
The InChIKey is FSHCERAPJQEXRG-WHRKIXHSSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-12(6-3-7-14-11(12)15)10-4-8-13-9-5-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)/i7D.
What are the key properties of 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one?
6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one has a molecular weight of 205.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-3-ethyl-3-pyridin-4-ylpiperidin-2-one is sourced from PubChem (CID 88625956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).