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

C15H27FN4O — CID 123812716

IUPAC1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESNC1CNCC(F)C1N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C15H27FN4O/c16-12-8-18-9-13(17)15(12)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h11-13,15,18H,1-10,17H2
InChIKeyQBCULQPYZCQRSR-UHFFFAOYSA-N
MW298.41 g/mol
LogP-0.04
Rot. Bonds3

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

1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 123812716) has the molecular formula C15H27FN4O and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID123812716
Molecular FormulaC15H27FN4O
Molecular Weight298.41 g/mol
Exact Mass298.22
IUPAC Name1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESNC1CNCC(F)C1N1CCC(CN2CCCC2=O)CC1
InChIInChI=1S/C15H27FN4O/c16-12-8-18-9-13(17)15(12)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h11-13,15,18H,1-10,17H2
InChIKeyQBCULQPYZCQRSR-UHFFFAOYSA-N
XLogP-0.04
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one (CID 123812716) is 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is NC1CNCC(F)C1N1CCC(CN2CCCC2=O)CC1.
What is the InChIKey of 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is QBCULQPYZCQRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN4O/c16-12-8-18-9-13(17)15(12)19-6-3-11(4-7-19)10-20-5-1-2-14(20)21/h11-13,15,18H,1-10,17H2.
What are the key properties of 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 298.41 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-amino-5-fluoropiperidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 123812716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).