3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one

C16H23FN2O — CID 81474587

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one
SMILESCC1CN(CCC(=O)c2ccc(F)cc2)CC1N(C)C
InChIInChI=1S/C16H23FN2O/c1-12-10-19(11-15(12)18(2)3)9-8-16(20)13-4-6-14(17)7-5-13/h4-7,12,15H,8-11H2,1-3H3
InChIKeyIZWWFMRTQPWSFJ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.28
Rot. Bonds5

About 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one (PubChem CID 81474587) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one
PubChem CID81474587
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one
SMILESCC1CN(CCC(=O)c2ccc(F)cc2)CC1N(C)C
InChIInChI=1S/C16H23FN2O/c1-12-10-19(11-15(12)18(2)3)9-8-16(20)13-4-6-14(17)7-5-13/h4-7,12,15H,8-11H2,1-3H3
InChIKeyIZWWFMRTQPWSFJ-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(2-methylphenyl)propan-1-one
CID 81474781
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 79183544
1-(2,6-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]ethanone
CID 81475274
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanethioamide
CID 81464002
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83128488
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793238
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-fluorophenyl)propan-1-one
CID 43793154
N-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 70605385
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
CID 114287080
4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione
CID 66062553
N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
CID 15816994
1-(4-fluorophenyl)-3-[(2R)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]propan-1-one
CID 124776743

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one (CID 81474587) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one is CC1CN(CCC(=O)c2ccc(F)cc2)CC1N(C)C.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one?
The InChIKey is IZWWFMRTQPWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-10-19(11-15(12)18(2)3)9-8-16(20)13-4-6-14(17)7-5-13/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 81474587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).