1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone

C18H27N3O — CID 95824947

IUPAC1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccnc(N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C18H27N3O/c1-14-4-9-21(10-5-14)18-13-17(3-8-19-18)16-6-11-20(12-7-16)15(2)22/h3,8,13-14,16H,4-7,9-12H2,1-2H3
InChIKeyWYOYVBKADWGGIR-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.04
Rot. Bonds2

About 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95824947) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95824947
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccnc(N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C18H27N3O/c1-14-4-9-21(10-5-14)18-13-17(3-8-19-18)16-6-11-20(12-7-16)15(2)22/h3,8,13-14,16H,4-7,9-12H2,1-2H3
InChIKeyWYOYVBKADWGGIR-UHFFFAOYSA-N
XLogP3.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone 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 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone (CID 95824947) is 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccnc(N3CCC(C)CC3)c2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is WYOYVBKADWGGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-4-9-21(10-5-14)18-13-17(3-8-19-18)16-6-11-20(12-7-16)15(2)22/h3,8,13-14,16H,4-7,9-12H2,1-2H3.
What are the key properties of 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95824947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).