2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone

C20H29FN2O2 — CID 125015288

IUPAC2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C20H29FN2O2/c1-22(13-17-6-8-18(21)9-7-17)14-20(25)10-11-23(15-20)19(24)12-16-4-2-3-5-16/h6-9,16,25H,2-5,10-15H2,1H3/t20-/m1/s1
InChIKeyWSNATRCTBUOTAE-HXUWFJFHSA-N
MW348.46 g/mol
LogP2.80
Rot. Bonds6

About 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone

2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 125015288) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone
PubChem CID125015288
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone
SMILESCN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C20H29FN2O2/c1-22(13-17-6-8-18(21)9-7-17)14-20(25)10-11-23(15-20)19(24)12-16-4-2-3-5-16/h6-9,16,25H,2-5,10-15H2,1H3/t20-/m1/s1
InChIKeyWSNATRCTBUOTAE-HXUWFJFHSA-N
XLogP2.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 118740283
[(3S)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124944169
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 127245267
1-ethylsulfonyl-3-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 127248085
3-cyclohexyl-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 124996744
[(4S)-4-hydroxy-4-[[(4-methoxyphenyl)methyl-methylamino]methyl]azepan-1-yl]-piperidin-4-ylmethanone
CID 124957075
4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
CID 175662545
4-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]benzoic acid
CID 65212652
1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
2-cyclopentyl-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007806
[(3S)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124947723
[3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 127245257

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone (CID 125015288) is 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone is CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is WSNATRCTBUOTAE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-22(13-17-6-8-18(21)9-7-17)14-20(25)10-11-23(15-20)19(24)12-16-4-2-3-5-16/h6-9,16,25H,2-5,10-15H2,1H3/t20-/m1/s1.
What are the key properties of 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone?
2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 348.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125015288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).