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

C15H28FN5O — CID 138645801

IUPAC1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one
SMILESCN1CCN(C2CCN(C3C(N)CNC[C@@H]3F)CC2)C(=O)C1
InChIInChI=1S/C15H28FN5O/c1-19-6-7-21(14(22)10-19)11-2-4-20(5-3-11)15-12(16)8-18-9-13(15)17/h11-13,15,18H,2-10,17H2,1H3/t12-,13?,15?/m0/s1
InChIKeySRCXSGUQBAUCIA-OPFPJEHXSA-N
MW313.42 g/mol
LogP-1.14
Rot. Bonds2

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

1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one (PubChem CID 138645801) has the molecular formula C15H28FN5O and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one
PubChem CID138645801
Molecular FormulaC15H28FN5O
Molecular Weight313.42 g/mol
Exact Mass313.23
IUPAC Name1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one
SMILESCN1CCN(C2CCN(C3C(N)CNC[C@@H]3F)CC2)C(=O)C1
InChIInChI=1S/C15H28FN5O/c1-19-6-7-21(14(22)10-19)11-2-4-20(5-3-11)15-12(16)8-18-9-13(15)17/h11-13,15,18H,2-10,17H2,1H3/t12-,13?,15?/m0/s1
InChIKeySRCXSGUQBAUCIA-OPFPJEHXSA-N
XLogP-1.14
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one?
The IUPAC name of 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one (CID 138645801) is 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one.
What is the SMILES notation for 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one?
The canonical SMILES for 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one is CN1CCN(C2CCN(C3C(N)CNC[C@@H]3F)CC2)C(=O)C1.
What is the InChIKey of 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one?
The InChIKey is SRCXSGUQBAUCIA-OPFPJEHXSA-N. The full InChI is InChI=1S/C15H28FN5O/c1-19-6-7-21(14(22)10-19)11-2-4-20(5-3-11)15-12(16)8-18-9-13(15)17/h11-13,15,18H,2-10,17H2,1H3/t12-,13?,15?/m0/s1.
What are the key properties of 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one?
1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one has a molecular weight of 313.42 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5S)-3-amino-5-fluoropiperidin-4-yl]piperidin-4-yl]-4-methylpiperazin-2-one is sourced from PubChem (CID 138645801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).