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

C19H36FN5O — CID 134321761

IUPAC4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
SMILESCCCC1(F)CNCC(N)C1N1CCC(CN2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C19H36FN5O/c1-3-6-19(20)14-22-11-16(21)18(19)25-7-4-15(5-8-25)12-24-10-9-23(2)17(26)13-24/h15-16,18,22H,3-14,21H2,1-2H3
InChIKeyHBACVKMOFLLAJS-UHFFFAOYSA-N
MW369.53 g/mol
LogP0.28
Rot. Bonds5

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

4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one (PubChem CID 134321761) has the molecular formula C19H36FN5O and a molecular weight of 369.53 g/mol. Its IUPAC name is 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
PubChem CID134321761
Molecular FormulaC19H36FN5O
Molecular Weight369.53 g/mol
Exact Mass369.29
IUPAC Name4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one
SMILESCCCC1(F)CNCC(N)C1N1CCC(CN2CCN(C)C(=O)C2)CC1
InChIInChI=1S/C19H36FN5O/c1-3-6-19(20)14-22-11-16(21)18(19)25-7-4-15(5-8-25)12-24-10-9-23(2)17(26)13-24/h15-16,18,22H,3-14,21H2,1-2H3
InChIKeyHBACVKMOFLLAJS-UHFFFAOYSA-N
XLogP0.28
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one (CID 134321761) is 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one is CCCC1(F)CNCC(N)C1N1CCC(CN2CCN(C)C(=O)C2)CC1.
What is the InChIKey of 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
The InChIKey is HBACVKMOFLLAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FN5O/c1-3-6-19(20)14-22-11-16(21)18(19)25-7-4-15(5-8-25)12-24-10-9-23(2)17(26)13-24/h15-16,18,22H,3-14,21H2,1-2H3.
What are the key properties of 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one?
4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one has a molecular weight of 369.53 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-amino-3-fluoro-3-propylpiperidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 134321761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).