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

C16H30FN5O — CID 140643911

IUPAC4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)CC1=O
InChIInChI=1S/C16H30FN5O/c1-20-6-7-21(11-15(20)23)10-12-2-4-22(5-3-12)16-13(17)8-19-9-14(16)18/h12-14,16,19H,2-11,18H2,1H3
InChIKeyICQWCUJGYHGICG-UHFFFAOYSA-N
MW327.45 g/mol
LogP-0.89
Rot. Bonds3

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

4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one (PubChem CID 140643911) has the molecular formula C16H30FN5O and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
PubChem CID140643911
Molecular FormulaC16H30FN5O
Molecular Weight327.45 g/mol
Exact Mass327.24
IUPAC Name4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)CC1=O
InChIInChI=1S/C16H30FN5O/c1-20-6-7-21(11-15(20)23)10-12-2-4-22(5-3-12)16-13(17)8-19-9-14(16)18/h12-14,16,19H,2-11,18H2,1H3
InChIKeyICQWCUJGYHGICG-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 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one (CID 140643911) is 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one is CN1CCN(CC2CCN(C3C(N)CNCC3F)CC2)CC1=O.
What is the InChIKey of 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The InChIKey is ICQWCUJGYHGICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FN5O/c1-20-6-7-21(11-15(20)23)10-12-2-4-22(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 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-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 4-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 140643911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).