1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one

C20H29FN2O2 — CID 166624175

IUPAC1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one
SMILESCc1cc(CC2CCN(C(=O)CCCN3CCOCC3)C2)ccc1F
InChIInChI=1S/C20H29FN2O2/c1-16-13-17(4-5-19(16)21)14-18-6-8-23(15-18)20(24)3-2-7-22-9-11-25-12-10-22/h4-5,13,18H,2-3,6-12,14-15H2,1H3
InChIKeyAKCDRQNIUUDFHI-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.64
Rot. Bonds6

About 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one

1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one (PubChem CID 166624175) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one
PubChem CID166624175
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one
SMILESCc1cc(CC2CCN(C(=O)CCCN3CCOCC3)C2)ccc1F
InChIInChI=1S/C20H29FN2O2/c1-16-13-17(4-5-19(16)21)14-18-6-8-23(15-18)20(24)3-2-7-22-9-11-25-12-10-22/h4-5,13,18H,2-3,6-12,14-15H2,1H3
InChIKeyAKCDRQNIUUDFHI-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 166616138
1-[3-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 166623630
(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171709660
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 166624279
4-(3,4-dimethylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110624580
4-(1,3-dihydroisoindol-2-yl)-1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 166618263
2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 97145614
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70734020
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(4-fluoro-3-methylphenyl)propan-1-one
CID 90586674
N-[4-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 166621951
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 115277195
[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 170373442

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one (CID 166624175) is 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one is Cc1cc(CC2CCN(C(=O)CCCN3CCOCC3)C2)ccc1F.
What is the InChIKey of 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one?
The InChIKey is AKCDRQNIUUDFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-16-13-17(4-5-19(16)21)14-18-6-8-23(15-18)20(24)3-2-7-22-9-11-25-12-10-22/h4-5,13,18H,2-3,6-12,14-15H2,1H3.
What are the key properties of 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one?
1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 348.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 166624175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).