(2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide

C19H26FN3O2 — CID 110875988

IUPAC(2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)NCCc1ccccc1)N1CCCCC1
InChIInChI=1S/C19H26FN3O2/c20-16-13-17(18(24)22-11-5-2-6-12-22)23(14-16)19(25)21-10-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,21,25)/t16-,17-/m0/s1
InChIKeyVJYAFYFZTGTLAL-IRXDYDNUSA-N
MW347.43 g/mol
LogP2.36
Rot. Bonds4

About (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide

(2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 110875988) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
PubChem CID110875988
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)NCCc1ccccc1)N1CCCCC1
InChIInChI=1S/C19H26FN3O2/c20-16-13-17(18(24)22-11-5-2-6-12-22)23(14-16)19(25)21-10-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,21,25)/t16-,17-/m0/s1
InChIKeyVJYAFYFZTGTLAL-IRXDYDNUSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl-phe-pro-amino-cyclohexylglycine
CID 448763
Cyclo(L-Phe-L-Pro)
CID 443440
cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 9906804
Cyclo(-Gly-Phe)
CID 7076549
(3S-trans)-3-benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 99895
5-(Phenylmethyl)-2,4-imidazolidinedione
CID 73565
(5S)-5-benzylimidazolidine-2,4-dione
CID 703698
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
Smac peptido-mimetic 6h
CID 11176734
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 11395933
H-Pro-Phe-Phe-NH2
CID 44611435

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide (CID 110875988) is (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide is O=C([C@@H]1C[C@H](F)CN1C(=O)NCCc1ccccc1)N1CCCCC1.
What is the InChIKey of (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is VJYAFYFZTGTLAL-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-13-17(18(24)22-11-5-2-6-12-22)23(14-16)19(25)21-10-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,21,25)/t16-,17-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide?
(2S,4S)-4-fluoro-N-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.36, 4 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-(2-phenylethyl)-2-(piperidine-1-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110875988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).