[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

C17H26FN5O — CID 86781731

IUPAC[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ncnc(N2CCCC(C(=O)N3CCN(C)CC3)C2)c1F
InChIInChI=1S/C17H26FN5O/c1-3-14-15(18)16(20-12-19-14)23-6-4-5-13(11-23)17(24)22-9-7-21(2)8-10-22/h12-13H,3-11H2,1-2H3
InChIKeyYNLKJIPGRCSOJV-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.17
Rot. Bonds3

About [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 86781731) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID86781731
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1ncnc(N2CCCC(C(=O)N3CCN(C)CC3)C2)c1F
InChIInChI=1S/C17H26FN5O/c1-3-14-15(18)16(20-12-19-14)23-6-4-5-13(11-23)17(24)22-9-7-21(2)8-10-22/h12-13H,3-11H2,1-2H3
InChIKeyYNLKJIPGRCSOJV-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)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 [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 86781731) is [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is CCc1ncnc(N2CCCC(C(=O)N3CCN(C)CC3)C2)c1F.
What is the InChIKey of [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YNLKJIPGRCSOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-3-14-15(18)16(20-12-19-14)23-6-4-5-13(11-23)17(24)22-9-7-21(2)8-10-22/h12-13H,3-11H2,1-2H3.
What are the key properties of [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 335.43 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 86781731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).