2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C16H19FN2O2 — CID 115697992

IUPAC2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C16H19FN2O2/c17-12-8-11(9-18-10-12)16(21)19-7-3-5-14(19)13-4-1-2-6-15(13)20/h8-10,13-14H,1-7H2
InChIKeyVFNASFMFZBPRSJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.58
Rot. Bonds2

About 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 115697992) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID115697992
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C16H19FN2O2/c17-12-8-11(9-18-10-12)16(21)19-7-3-5-14(19)13-4-1-2-6-15(13)20/h8-10,13-14H,1-7H2
InChIKeyVFNASFMFZBPRSJ-UHFFFAOYSA-N
XLogP2.58
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-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-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476
2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539470
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114820809
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79691487
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
(5-fluoro-3-pyridinyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649427
3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546267
2-[1-(4-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79538176

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 115697992) is 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1C(=O)c1cncc(F)c1.
What is the InChIKey of 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is VFNASFMFZBPRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-12-8-11(9-18-10-12)16(21)19-7-3-5-14(19)13-4-1-2-6-15(13)20/h8-10,13-14H,1-7H2.
What are the key properties of 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 290.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 115697992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).