1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one

C12H18N2O — CID 118282112

IUPAC1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one
SMILESC[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O/c1-9-8-13-5-3-11(9)10-4-6-14(2)12(15)7-10/h4,6-7,9,11,13H,3,5,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyIZHAYPMDHPHGPK-ONGXEEELSA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds1

About 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one

1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one (PubChem CID 118282112) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one
PubChem CID118282112
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one
SMILESC[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1
InChIInChI=1S/C12H18N2O/c1-9-8-13-5-3-11(9)10-4-6-14(2)12(15)7-10/h4,6-7,9,11,13H,3,5,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyIZHAYPMDHPHGPK-ONGXEEELSA-N
XLogP1.10
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one (CID 118282112) is 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one is C[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one?
The InChIKey is IZHAYPMDHPHGPK-ONGXEEELSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-8-13-5-3-11(9)10-4-6-14(2)12(15)7-10/h4,6-7,9,11,13H,3,5,8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one?
1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R,4S)-3-methylpiperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 118282112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).