1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone

C18H25FN2O — CID 120854199

IUPAC1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCN1CC1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(22)11-17-4-2-10-21(17)13-14-3-1-9-20-12-14/h5-8,14,17,20H,1-4,9-13H2
InChIKeyCEQCDPYLOXJQDZ-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone

1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone (PubChem CID 120854199) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
PubChem CID120854199
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
SMILESO=C(CC1CCCN1CC1CCCNC1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(22)11-17-4-2-10-21(17)13-14-3-1-9-20-12-14/h5-8,14,17,20H,1-4,9-13H2
InChIKeyCEQCDPYLOXJQDZ-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanone
CID 124735960
2-[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanone
CID 124735961
3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine
CID 120850211
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
2-[(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 97083981
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
3-[[(2S)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-1-yl]methyl]benzamide
CID 97011036
2-(1-ethylsulfonylpyrrolidin-2-yl)-1-(4-fluorophenyl)ethanone
CID 75517519
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone (CID 120854199) is 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone is O=C(CC1CCCN1CC1CCCNC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone?
The InChIKey is CEQCDPYLOXJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-16-7-5-15(6-8-16)18(22)11-17-4-2-10-21(17)13-14-3-1-9-20-12-14/h5-8,14,17,20H,1-4,9-13H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone has a molecular weight of 304.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 120854199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).