cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone

C18H24FNO2 — CID 143833917

IUPACcyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1
InChIInChI=1S/C18H24FNO2/c1-2-14-11-20(17(21)13-6-3-4-7-13)12-18(14,22)15-8-5-9-16(19)10-15/h5,8-10,13-14,22H,2-4,6-7,11-12H2,1H3/t14-,18+/m0/s1
InChIKeyKYBCMIHQGALAGP-KBXCAEBGSA-N
MW305.39 g/mol
LogP3.07
Rot. Bonds3

About cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone

cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 143833917) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID143833917
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Namecyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1
InChIInChI=1S/C18H24FNO2/c1-2-14-11-20(17(21)13-6-3-4-7-13)12-18(14,22)15-8-5-9-16(19)10-15/h5,8-10,13-14,22H,2-4,6-7,11-12H2,1H3/t14-,18+/m0/s1
InChIKeyKYBCMIHQGALAGP-KBXCAEBGSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-
CID 11328898
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885759
((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885863
((3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl)((3S,4R,5R)-4-(3-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885907
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885972
((3S,4R)-4-(2,4-difluorophenyl)-1-isopropylpyrrolidin-3-yl)((3S,4R,5R)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl)methanone
CID 46885974
N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-phenylacetamide
CID 49798129
N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 49798132
[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-1-[4-(2-dimethylamino-ethyl)-piperidin-1-yl]-2-hydroxy-2-phenyl-ethanone
CID 44308799
(R)-1-(3-Aminomethyl-pyrrolidin-1-yl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44308912
[(3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-[(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 46203842

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone (CID 143833917) is cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone is CC[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1.
What is the InChIKey of cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is KYBCMIHQGALAGP-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-2-14-11-20(17(21)13-6-3-4-7-13)12-18(14,22)15-8-5-9-16(19)10-15/h5,8-10,13-14,22H,2-4,6-7,11-12H2,1H3/t14-,18+/m0/s1.
What are the key properties of cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone?
cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 305.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 143833917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).