1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one

C15H20F2N4O2 — CID 171523823

IUPAC1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one
SMILESCC1CCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)C(=O)C1
InChIInChI=1S/C15H20F2N4O2/c1-11-2-4-21(13(22)6-11)12-7-15(16,17)9-20(8-12)14(23)19-5-3-18-10-19/h3,5,10-12H,2,4,6-9H2,1H3/t11?,12-/m1/s1
InChIKeyCVTCNWFOBOMMSK-PIJUOVFKSA-N
MW326.35 g/mol
LogP1.82
Rot. Bonds1

About 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one

1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one (PubChem CID 171523823) has the molecular formula C15H20F2N4O2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one
PubChem CID171523823
Molecular FormulaC15H20F2N4O2
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one
SMILESCC1CCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)C(=O)C1
InChIInChI=1S/C15H20F2N4O2/c1-11-2-4-21(13(22)6-11)12-7-15(16,17)9-20(8-12)14(23)19-5-3-18-10-19/h3,5,10-12H,2,4,6-9H2,1H3/t11?,12-/m1/s1
InChIKeyCVTCNWFOBOMMSK-PIJUOVFKSA-N
XLogP1.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.82
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]-4-methylpiperidin-2-one?
The IUPAC name of 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one (CID 171523823) is 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one.
What is the SMILES notation for 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one?
The canonical SMILES for 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one is CC1CCN([C@H]2CN(C(=O)n3ccnc3)CC(F)(F)C2)C(=O)C1.
What is the InChIKey of 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one?
The InChIKey is CVTCNWFOBOMMSK-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H20F2N4O2/c1-11-2-4-21(13(22)6-11)12-7-15(16,17)9-20(8-12)14(23)19-5-3-18-10-19/h3,5,10-12H,2,4,6-9H2,1H3/t11?,12-/m1/s1.
What are the key properties of 1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one?
1-[(3R)-5,5-difluoro-1-(imidazole-1-carbonyl)piperidin-3-yl]-4-methylpiperidin-2-one has a molecular weight of 326.35 g/mol, XLogP of 1.82, 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]-4-methylpiperidin-2-one is sourced from PubChem (CID 171523823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).