1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one

C19H21FN2O — CID 136539354

IUPAC1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC1(c2ccc(F)cc2)CCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C19H21FN2O/c1-19(16-5-7-17(20)8-6-16)10-12-22(14-19)18(23)9-4-15-3-2-11-21-13-15/h2-3,5-8,11,13H,4,9-10,12,14H2,1H3
InChIKeyIMAYSNOMQKQWIT-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.34
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 136539354) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID136539354
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC1(c2ccc(F)cc2)CCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C19H21FN2O/c1-19(16-5-7-17(20)8-6-16)10-12-22(14-19)18(23)9-4-15-3-2-11-21-13-15/h2-3,5-8,11,13H,4,9-10,12,14H2,1H3
InChIKeyIMAYSNOMQKQWIT-UHFFFAOYSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115304597
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
1-[2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 97392779
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125003770
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110114570
1-[(3S,4S)-3-[(4-fluorophenyl)methyl]-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155506833
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 23600333
1-(4-methoxy-4-methylazepan-1-yl)-3-pyridin-3-ylpropan-1-one
CID 136539071
1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 97396357
(3S,4S)-4-benzyl-3-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-4-carboxylic acid
CID 155917579
1-[4-(dimethylamino)-4-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689549

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 136539354) is 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one is CC1(c2ccc(F)cc2)CCN(C(=O)CCc2cccnc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is IMAYSNOMQKQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-19(16-5-7-17(20)8-6-16)10-12-22(14-19)18(23)9-4-15-3-2-11-21-13-15/h2-3,5-8,11,13H,4,9-10,12,14H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 312.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 136539354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).