2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C14H19N3O3 — CID 169114502

IUPAC2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCOc1cncc([C@H]2CC[C@H](C)CN2C(=O)C(N)=O)c1
InChIInChI=1S/C14H19N3O3/c1-9-3-4-12(17(8-9)14(19)13(15)18)10-5-11(20-2)7-16-6-10/h5-7,9,12H,3-4,8H2,1-2H3,(H2,15,18)/t9-,12+/m0/s1
InChIKeyCOBJOKKWFDVNFH-JOYOIKCWSA-N
MW277.32 g/mol
LogP0.88
Rot. Bonds2

About 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114502) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169114502
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCOc1cncc([C@H]2CC[C@H](C)CN2C(=O)C(N)=O)c1
InChIInChI=1S/C14H19N3O3/c1-9-3-4-12(17(8-9)14(19)13(15)18)10-5-11(20-2)7-16-6-10/h5-7,9,12H,3-4,8H2,1-2H3,(H2,15,18)/t9-,12+/m0/s1
InChIKeyCOBJOKKWFDVNFH-JOYOIKCWSA-N
XLogP0.88
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113224
2,2,2-trifluoroethyl 2-[5-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]-2-oxoacetate
CID 169113074
2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169114144
2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
CID 169115093
2-[(2R,5S)-5-methyl-2-thiophen-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 169114365
2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169115043
2-[2-(2,5-dimethylpyrazol-3-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113695
5-[[2-[(2S,5R)-2-(3,4-dimethoxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753537
5-[[2-[(5S)-5-methyl-2-pyridin-4-ylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033588
2-[(2R,5S)-5-methyl-2-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
CID 169114290
2,2,2-trifluoroethyl 2-[(2R,5S)-2-(6-methoxy-5-methyl-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetate
CID 169114725
2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 169114595

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169114502) is 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is COc1cncc([C@H]2CC[C@H](C)CN2C(=O)C(N)=O)c1.
What is the InChIKey of 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is COBJOKKWFDVNFH-JOYOIKCWSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-3-4-12(17(8-9)14(19)13(15)18)10-5-11(20-2)7-16-6-10/h5-7,9,12H,3-4,8H2,1-2H3,(H2,15,18)/t9-,12+/m0/s1.
What are the key properties of 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 277.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-2-(5-methoxy-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).