(2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide

C18H23F2N3O2 — CID 110875998

IUPAC(2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)NCc1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C18H23F2N3O2/c19-14-6-4-5-13(9-14)11-21-18(25)23-12-15(20)10-16(23)17(24)22-7-2-1-3-8-22/h4-6,9,15-16H,1-3,7-8,10-12H2,(H,21,25)/t15-,16-/m0/s1
InChIKeySNOXGFYSORYTSY-HOTGVXAUSA-N
MW351.40 g/mol
LogP2.46
Rot. Bonds3

About (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide

(2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 110875998) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
PubChem CID110875998
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name(2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)NCc1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C18H23F2N3O2/c19-14-6-4-5-13(9-14)11-21-18(25)23-12-15(20)10-16(23)17(24)22-7-2-1-3-8-22/h4-6,9,15-16H,1-3,7-8,10-12H2,(H,21,25)/t15-,16-/m0/s1
InChIKeySNOXGFYSORYTSY-HOTGVXAUSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide 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 (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide (CID 110875998) is (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide is O=C([C@@H]1C[C@H](F)CN1C(=O)NCc1cccc(F)c1)N1CCCCC1.
What is the InChIKey of (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is SNOXGFYSORYTSY-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c19-14-6-4-5-13(9-14)11-21-18(25)23-12-15(20)10-16(23)17(24)22-7-2-1-3-8-22/h4-6,9,15-16H,1-3,7-8,10-12H2,(H,21,25)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
(2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-N-[(3-fluorophenyl)methyl]-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110875998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).