(4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone

C17H26N4O2 — CID 141343812

IUPAC(4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone
SMILESCOC1CCN(C(=O)c2cnc(N3CCNCC3)c(C)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-13-11-14(12-19-16(13)20-9-5-18-6-10-20)17(22)21-7-3-15(23-2)4-8-21/h11-12,15,18H,3-10H2,1-2H3
InChIKeyUSQYGLWEFSPEBT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.05
Rot. Bonds3

About (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone

(4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone (PubChem CID 141343812) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone
PubChem CID141343812
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone
SMILESCOC1CCN(C(=O)c2cnc(N3CCNCC3)c(C)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-13-11-14(12-19-16(13)20-9-5-18-6-10-20)17(22)21-7-3-15(23-2)4-8-21/h11-12,15,18H,3-10H2,1-2H3
InChIKeyUSQYGLWEFSPEBT-UHFFFAOYSA-N
XLogP1.05
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone 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-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone (CID 141343812) is (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone is COC1CCN(C(=O)c2cnc(N3CCNCC3)c(C)c2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone?
The InChIKey is USQYGLWEFSPEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-11-14(12-19-16(13)20-9-5-18-6-10-20)17(22)21-7-3-15(23-2)4-8-21/h11-12,15,18H,3-10H2,1-2H3.
What are the key properties of (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone?
(4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-(5-methyl-6-piperazin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 141343812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).