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

C18H25FN2O — CID 95894518

IUPAC3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC[C@H]1c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C18H25FN2O/c19-16-8-6-15(7-9-16)17-5-1-2-11-20(17)14-10-18(22)21-12-3-4-13-21/h6-9,17H,1-5,10-14H2/t17-/m0/s1
InChIKeyHYRHLYMIDLLMRT-KRWDZBQOSA-N
MW304.41 g/mol
LogP3.37
Rot. Bonds4

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

3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 95894518) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID95894518
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC[C@H]1c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C18H25FN2O/c19-16-8-6-15(7-9-16)17-5-1-2-11-20(17)14-10-18(22)21-12-3-4-13-21/h6-9,17H,1-5,10-14H2/t17-/m0/s1
InChIKeyHYRHLYMIDLLMRT-KRWDZBQOSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide
CID 95715360
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
3-[2-(4-fluorophenyl)azetidin-1-yl]-N-propan-2-ylpropanamide
CID 91843072
ethyl 1-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47019473
3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 129350156
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60501681
3-chloro-1-[3-(4-fluorophenyl)azepan-1-yl]propan-1-one
CID 90608743
3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 129346026
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 95894518) is 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCCC[C@H]1c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HYRHLYMIDLLMRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-8-6-15(7-9-16)17-5-1-2-11-20(17)14-10-18(22)21-12-3-4-13-21/h6-9,17H,1-5,10-14H2/t17-/m0/s1.
What are the key properties of 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 304.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95894518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).