[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone

C17H23FN2O — CID 119296749

IUPAC[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN2O/c18-15-4-1-3-14(12-15)11-13-6-9-20(10-7-13)17(21)16-5-2-8-19-16/h1,3-4,12-13,16,19H,2,5-11H2
InChIKeyVYHJRPOBCXIQLA-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.36
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone

[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119296749) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119296749
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN2O/c18-15-4-1-3-14(12-15)11-13-6-9-20(10-7-13)17(21)16-5-2-8-19-16/h1,3-4,12-13,16,19H,2,5-11H2
InChIKeyVYHJRPOBCXIQLA-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 119296735
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
5-azaspiro[2.4]heptan-2-yl-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 154864233
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
(1-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136554321
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 76868299
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone (CID 119296749) is [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is VYHJRPOBCXIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-15-4-1-3-14(12-15)11-13-6-9-20(10-7-13)17(21)16-5-2-8-19-16/h1,3-4,12-13,16,19H,2,5-11H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone?
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 290.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119296749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).