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

C16H30FN5O — CID 134340127

IUPAC1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
SMILESCN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)C(=O)C1
InChIInChI=1S/C16H30FN5O/c1-20-6-7-22(15(23)11-20)10-12-2-4-21(5-3-12)16-13(17)8-19-9-14(16)18/h12-14,16,19H,2-11,18H2,1H3
InChIKeyOLUFIURUKSQWCE-UHFFFAOYSA-N
MW327.45 g/mol
LogP-0.89
Rot. Bonds3

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

1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one (PubChem CID 134340127) has the molecular formula C16H30FN5O and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
PubChem CID134340127
Molecular FormulaC16H30FN5O
Molecular Weight327.45 g/mol
Exact Mass327.24
IUPAC Name1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one
SMILESCN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)C(=O)C1
InChIInChI=1S/C16H30FN5O/c1-20-6-7-22(15(23)11-20)10-12-2-4-21(5-3-12)16-13(17)8-19-9-14(16)18/h12-14,16,19H,2-11,18H2,1H3
InChIKeyOLUFIURUKSQWCE-UHFFFAOYSA-N
XLogP-0.89
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one (CID 134340127) is 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one is CN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)C(=O)C1.
What is the InChIKey of 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one?
The InChIKey is OLUFIURUKSQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN5O/c1-20-6-7-22(15(23)11-20)10-12-2-4-21(5-3-12)16-13(17)8-19-9-14(16)18/h12-14,16,19H,2-11,18H2,1H3.
What are the key properties of 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one?
1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one has a molecular weight of 327.45 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-methylpiperazin-2-one is sourced from PubChem (CID 134340127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).