1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one

C17H32FN5O — CID 130280123

IUPAC1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
SMILESCN1CCN(CC2CCN(C3C(N)CN(C)CC3F)CC2)C(=O)C1
InChIInChI=1S/C17H32FN5O/c1-20-7-8-23(16(24)12-20)9-13-3-5-22(6-4-13)17-14(18)10-21(2)11-15(17)19/h13-15,17H,3-12,19H2,1-2H3
InChIKeyUXUVJAKRUXUDMC-UHFFFAOYSA-N
MW341.48 g/mol
LogP-0.55
Rot. Bonds3

About 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one

1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one (PubChem CID 130280123) has the molecular formula C17H32FN5O and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
PubChem CID130280123
Molecular FormulaC17H32FN5O
Molecular Weight341.48 g/mol
Exact Mass341.26
IUPAC Name1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
SMILESCN1CCN(CC2CCN(C3C(N)CN(C)CC3F)CC2)C(=O)C1
InChIInChI=1S/C17H32FN5O/c1-20-7-8-23(16(24)12-20)9-13-3-5-22(6-4-13)17-14(18)10-21(2)11-15(17)19/h13-15,17H,3-12,19H2,1-2H3
InChIKeyUXUVJAKRUXUDMC-UHFFFAOYSA-N
XLogP-0.55
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one (CID 130280123) is 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one is CN1CCN(CC2CCN(C3C(N)CN(C)CC3F)CC2)C(=O)C1.
What is the InChIKey of 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one?
The InChIKey is UXUVJAKRUXUDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN5O/c1-20-7-8-23(16(24)12-20)9-13-3-5-22(6-4-13)17-14(18)10-21(2)11-15(17)19/h13-15,17H,3-12,19H2,1-2H3.
What are the key properties of 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one?
1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one has a molecular weight of 341.48 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 130280123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).