1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one

C16H24N2O2 — CID 116564272

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one
SMILESCOc1c(C)cnc(CC(=O)CC2CCCNC2)c1C
InChIInChI=1S/C16H24N2O2/c1-11-9-18-15(12(2)16(11)20-3)8-14(19)7-13-5-4-6-17-10-13/h9,13,17H,4-8,10H2,1-3H3
InChIKeyGTFTVZXQBLQRKK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one (PubChem CID 116564272) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one
PubChem CID116564272
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one
SMILESCOc1c(C)cnc(CC(=O)CC2CCCNC2)c1C
InChIInChI=1S/C16H24N2O2/c1-11-9-18-15(12(2)16(11)20-3)8-14(19)7-13-5-4-6-17-10-13/h9,13,17H,4-8,10H2,1-3H3
InChIKeyGTFTVZXQBLQRKK-UHFFFAOYSA-N
XLogP2.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one 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-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568377
4-methoxy-3,5-dimethyl-2-(2-piperidin-3-ylethoxymethyl)pyridine
CID 62357177
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547474
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968264
2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 64507176
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116576066
4-methoxy-3,5-dimethyl-2-(piperidin-4-yloxymethyl)pyridine
CID 43346269
1-(2-bromophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62829657
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one (CID 116564272) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one is COc1c(C)cnc(CC(=O)CC2CCCNC2)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one?
The InChIKey is GTFTVZXQBLQRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-18-15(12(2)16(11)20-3)8-14(19)7-13-5-4-6-17-10-13/h9,13,17H,4-8,10H2,1-3H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 116564272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).