3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C20H29FN2O — CID 95707410

IUPAC3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCC[C@H](CCc2ccc(F)cc2)C1)N1CCCC1
InChIInChI=1S/C20H29FN2O/c21-19-9-7-17(8-10-19)5-6-18-4-3-12-22(16-18)15-11-20(24)23-13-1-2-14-23/h7-10,18H,1-6,11-16H2/t18-/m1/s1
InChIKeyGOAYREXTKWRBRZ-GOSISDBHSA-N
MW332.46 g/mol
LogP3.48
Rot. Bonds6

About 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 95707410) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID95707410
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCC[C@H](CCc2ccc(F)cc2)C1)N1CCCC1
InChIInChI=1S/C20H29FN2O/c21-19-9-7-17(8-10-19)5-6-18-4-3-12-22(16-18)15-11-20(24)23-13-1-2-14-23/h7-10,18H,1-6,11-16H2/t18-/m1/s1
InChIKeyGOAYREXTKWRBRZ-GOSISDBHSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 95557612
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011
2-[2-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethoxy]ethanol
CID 95730431
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543540
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95715235
3-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 56906622
cyclopropyl-[4-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543541

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 95707410) is 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCC[C@H](CCc2ccc(F)cc2)C1)N1CCCC1.
What is the InChIKey of 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GOAYREXTKWRBRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29FN2O/c21-19-9-7-17(8-10-19)5-6-18-4-3-12-22(16-18)15-11-20(24)23-13-1-2-14-23/h7-10,18H,1-6,11-16H2/t18-/m1/s1.
What are the key properties of 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 332.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95707410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).