4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one

C20H38FN5O — CID 123170390

IUPAC4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
SMILESCCC1C(N)C(N2CCC(CN3CCN(C)C(=O)C3)CC2)C(F)CN1CC
InChIInChI=1S/C20H38FN5O/c1-4-17-19(22)20(16(21)13-25(17)5-2)26-8-6-15(7-9-26)12-24-11-10-23(3)18(27)14-24/h15-17,19-20H,4-14,22H2,1-3H3
InChIKeyXWCZEBWKYYPODY-UHFFFAOYSA-N
MW383.56 g/mol
LogP0.62
Rot. Bonds5

About 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one

4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one (PubChem CID 123170390) has the molecular formula C20H38FN5O and a molecular weight of 383.56 g/mol. Its IUPAC name is 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
PubChem CID123170390
Molecular FormulaC20H38FN5O
Molecular Weight383.56 g/mol
Exact Mass383.31
IUPAC Name4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
SMILESCCC1C(N)C(N2CCC(CN3CCN(C)C(=O)C3)CC2)C(F)CN1CC
InChIInChI=1S/C20H38FN5O/c1-4-17-19(22)20(16(21)13-25(17)5-2)26-8-6-15(7-9-26)12-24-11-10-23(3)18(27)14-24/h15-17,19-20H,4-14,22H2,1-3H3
InChIKeyXWCZEBWKYYPODY-UHFFFAOYSA-N
XLogP0.62
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one 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-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one (CID 123170390) is 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one is CCC1C(N)C(N2CCC(CN3CCN(C)C(=O)C3)CC2)C(F)CN1CC.
What is the InChIKey of 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The InChIKey is XWCZEBWKYYPODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN5O/c1-4-17-19(22)20(16(21)13-25(17)5-2)26-8-6-15(7-9-26)12-24-11-10-23(3)18(27)14-24/h15-17,19-20H,4-14,22H2,1-3H3.
What are the key properties of 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one has a molecular weight of 383.56 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-amino-1,2-diethyl-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 123170390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).