3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one

C9H14F2N2O — CID 67353972

IUPAC3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one
SMILESO=C1NCCC1N1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11)2-5-13(6-3-9)7-1-4-12-8(7)14/h7H,1-6H2,(H,12,14)
InChIKeyGTMZVXOUCYVTFQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.61
Rot. Bonds1

About 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one

3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one (PubChem CID 67353972) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one
PubChem CID67353972
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one
SMILESO=C1NCCC1N1CCC(F)(F)CC1
InChIInChI=1S/C9H14F2N2O/c10-9(11)2-5-13(6-3-9)7-1-4-12-8(7)14/h7H,1-6H2,(H,12,14)
InChIKeyGTMZVXOUCYVTFQ-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-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

Related Compounds

2-(2-methyl-5-oxo-1-pyrrolidinyl)-N-[2-(1-piperidinyl)propyl]acetamide
CID 21327783
1-(Piperidin-3-yl)pyrrolidin-2-one
CID 24689384
3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 54592868
3-(Methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 54592921
1-[(3R)-3-Aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 102978512
2-(2-Oxopyrrolidin-1-yl)-N-[2-(piperidin-1-yl)propyl]acetamide
CID 44374682
N-[3-(2-Methylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374716
1-D-prolylpiperidine
CID 28163836
5-Oxo-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 86820478
3-(Piperazin-1-yl)pyrrolidin-2-one dihydrochloride
CID 167723725
(3s,5r)-3-Amino-5-(trifluoromethyl)pyrrolidin-2-one
CID 172645634
4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide
CID 97004912

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one (CID 67353972) is 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one is O=C1NCCC1N1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one?
The InChIKey is GTMZVXOUCYVTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)2-5-13(6-3-9)7-1-4-12-8(7)14/h7H,1-6H2,(H,12,14).
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one?
3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one has a molecular weight of 204.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 67353972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).