1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone

C17H25N3O2 — CID 58547694

IUPAC1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCNCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20-11-6-14(7-12-20)16-3-2-8-19-17(16)22-15-4-9-18-10-5-15/h2-3,8,14-15,18H,4-7,9-12H2,1H3
InChIKeyGKRHUSDOVOYWJV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.94
Rot. Bonds3

About 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone

1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 58547694) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
PubChem CID58547694
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CCNCC2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20-11-6-14(7-12-20)16-3-2-8-19-17(16)22-15-4-9-18-10-5-15/h2-3,8,14-15,18H,4-7,9-12H2,1H3
InChIKeyGKRHUSDOVOYWJV-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-piperidin-4-yloxy-3-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-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone (CID 58547694) is 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2OC2CCNCC2)CC1.
What is the InChIKey of 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is GKRHUSDOVOYWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)20-11-6-14(7-12-20)16-3-2-8-19-17(16)22-15-4-9-18-10-5-15/h2-3,8,14-15,18H,4-7,9-12H2,1H3.
What are the key properties of 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone?
1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-piperidin-4-yloxy-3-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58547694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).