1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one

C15H23F2N3O2 — CID 120954972

IUPAC1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one
SMILESO=C(C1CC(F)(F)CN1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C15H23F2N3O2/c16-15(17)9-12(18-10-15)14(22)19-7-4-11(5-8-19)20-6-2-1-3-13(20)21/h11-12,18H,1-10H2
InChIKeyXHRJSLXNXWDJAI-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.99
Rot. Bonds2

About 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one

1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one (PubChem CID 120954972) has the molecular formula C15H23F2N3O2 and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one
PubChem CID120954972
Molecular FormulaC15H23F2N3O2
Molecular Weight315.36 g/mol
Exact Mass315.18
IUPAC Name1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one
SMILESO=C(C1CC(F)(F)CN1)N1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C15H23F2N3O2/c16-15(17)9-12(18-10-15)14(22)19-7-4-11(5-8-19)20-6-2-1-3-13(20)21/h11-12,18H,1-10H2
InChIKeyXHRJSLXNXWDJAI-UHFFFAOYSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one (CID 120954972) is 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one is O=C(C1CC(F)(F)CN1)N1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one?
The InChIKey is XHRJSLXNXWDJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2/c16-15(17)9-12(18-10-15)14(22)19-7-4-11(5-8-19)20-6-2-1-3-13(20)21/h11-12,18H,1-10H2.
What are the key properties of 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one?
1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one has a molecular weight of 315.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 120954972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).