[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

C20H27FN2O2 — CID 97077217

IUPAC[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@H](CN2CCOCC2)C1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C20H27FN2O2/c21-18-4-1-3-17(13-18)20(6-2-7-20)19(24)23-8-5-16(15-23)14-22-9-11-25-12-10-22/h1,3-4,13,16H,2,5-12,14-15H2/t16-/m1/s1
InChIKeyGIPXSXOOHVRLKH-MRXNPFEDSA-N
MW346.45 g/mol
LogP2.43
Rot. Bonds4

About [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 97077217) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID97077217
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@H](CN2CCOCC2)C1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C20H27FN2O2/c21-18-4-1-3-17(13-18)20(6-2-7-20)19(24)23-8-5-16(15-23)14-22-9-11-25-12-10-22/h1,3-4,13,16H,2,5-12,14-15H2/t16-/m1/s1
InChIKeyGIPXSXOOHVRLKH-MRXNPFEDSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-fluorophenyl)cyclobutyl]-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929508
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[4-(3-fluorophenyl)oxan-4-yl]-[(3R)-3-(quinolin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 124959794
2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
[4-(3-fluorophenyl)oxan-4-yl]-[(3R,4R)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methanone
CID 126797777
[1-(3-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561853
(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
CID 125150565

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 97077217) is [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is O=C(N1CC[C@H](CN2CCOCC2)C1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GIPXSXOOHVRLKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-4-1-3-17(13-18)20(6-2-7-20)19(24)23-8-5-16(15-23)14-22-9-11-25-12-10-22/h1,3-4,13,16H,2,5-12,14-15H2/t16-/m1/s1.
What are the key properties of [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 346.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97077217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).