[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C16H21FN2O — CID 125118087

IUPAC[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESC[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C16H21FN2O/c1-11-9-13(12-4-6-14(17)7-5-12)10-19(11)16(20)15-3-2-8-18-15/h4-7,11,13,15,18H,2-3,8-10H2,1H3/t11-,13+,15-/m1/s1
InChIKeyGBNKVWWTMGTZAU-OSAQELSMSA-N
MW276.35 g/mol
LogP2.28
Rot. Bonds2

About [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 125118087) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID125118087
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESC[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN1
InChIInChI=1S/C16H21FN2O/c1-11-9-13(12-4-6-14(17)7-5-12)10-19(11)16(20)15-3-2-8-18-15/h4-7,11,13,15,18H,2-3,8-10H2,1H3/t11-,13+,15-/m1/s1
InChIKeyGBNKVWWTMGTZAU-OSAQELSMSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119330969
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119330951
[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119331250
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120934243
2-fluoro-1-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 122157842
[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120934242
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119331339
[(2R,4S)-4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 124595999
(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633950
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone;hydrochloride
CID 120794325

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 125118087) is [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@H]1CCCN1.
What is the InChIKey of [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is GBNKVWWTMGTZAU-OSAQELSMSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-11-9-13(12-4-6-14(17)7-5-12)10-19(11)16(20)15-3-2-8-18-15/h4-7,11,13,15,18H,2-3,8-10H2,1H3/t11-,13+,15-/m1/s1.
What are the key properties of [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 276.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 125118087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).