[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone

C17H25N3O2 — CID 91916168

IUPAC[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C17H25N3O2/c1-19(16-6-12-22-13-7-16)15-4-10-20(11-5-15)17(21)14-2-8-18-9-3-14/h2-3,8-9,15-16H,4-7,10-13H2,1H3
InChIKeyUFTFOAFZVUCREV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.80
Rot. Bonds3

About [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91916168) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91916168
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C17H25N3O2/c1-19(16-6-12-22-13-7-16)15-4-10-20(11-5-15)17(21)14-2-8-18-9-3-14/h2-3,8-9,15-16H,4-7,10-13H2,1H3
InChIKeyUFTFOAFZVUCREV-UHFFFAOYSA-N
XLogP1.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone (CID 91916168) is [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone is CN(C1CCOCC1)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is UFTFOAFZVUCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(16-6-12-22-13-7-16)15-4-10-20(11-5-15)17(21)14-2-8-18-9-3-14/h2-3,8-9,15-16H,4-7,10-13H2,1H3.
What are the key properties of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91916168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).