1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one

C14H18F2N4O2 — CID 171523798

IUPAC1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one
SMILESO=C1CCCCN1[C@H]1CN(C(=O)n2ccnc2)CC(F)(F)C1
InChIInChI=1S/C14H18F2N4O2/c15-14(16)7-11(20-5-2-1-3-12(20)21)8-19(9-14)13(22)18-6-4-17-10-18/h4,6,10-11H,1-3,5,7-9H2/t11-/m1/s1
InChIKeyPNTURQOXPXVRIA-LLVKDONJSA-N
MW312.32 g/mol
LogP1.57
Rot. Bonds1

About 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one

1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one (PubChem CID 171523798) has the molecular formula C14H18F2N4O2 and a molecular weight of 312.32 g/mol. Its IUPAC name is 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one
PubChem CID171523798
Molecular FormulaC14H18F2N4O2
Molecular Weight312.32 g/mol
Exact Mass312.14
IUPAC Name1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one
SMILESO=C1CCCCN1[C@H]1CN(C(=O)n2ccnc2)CC(F)(F)C1
InChIInChI=1S/C14H18F2N4O2/c15-14(16)7-11(20-5-2-1-3-12(20)21)8-19(9-14)13(22)18-6-4-17-10-18/h4,6,10-11H,1-3,5,7-9H2/t11-/m1/s1
InChIKeyPNTURQOXPXVRIA-LLVKDONJSA-N
XLogP1.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one (CID 171523798) is 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one is O=C1CCCCN1[C@H]1CN(C(=O)n2ccnc2)CC(F)(F)C1.
What is the InChIKey of 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one?
The InChIKey is PNTURQOXPXVRIA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18F2N4O2/c15-14(16)7-11(20-5-2-1-3-12(20)21)8-19(9-14)13(22)18-6-4-17-10-18/h4,6,10-11H,1-3,5,7-9H2/t11-/m1/s1.
What are the key properties of 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one?
1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one has a molecular weight of 312.32 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]piperidin-2-one is sourced from PubChem (CID 171523798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).