1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C26H32FN3O2 — CID 110148888

IUPAC1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC2CCc2ccncc2)CC1
InChIInChI=1S/C26H32FN3O2/c1-20(31)29-17-12-26(13-18-29,19-22-4-7-23(27)8-5-22)25(32)30-16-2-3-24(30)9-6-21-10-14-28-15-11-21/h4-5,7-8,10-11,14-15,24H,2-3,6,9,12-13,16-19H2,1H3
InChIKeyXUWVCQJZCQBPOL-UHFFFAOYSA-N
MW437.56 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110148888) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110148888
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC2CCc2ccncc2)CC1
InChIInChI=1S/C26H32FN3O2/c1-20(31)29-17-12-26(13-18-29,19-22-4-7-23(27)8-5-22)25(32)30-16-2-3-24(30)9-6-21-10-14-28-15-11-21/h4-5,7-8,10-11,14-15,24H,2-3,6,9,12-13,16-19H2,1H3
InChIKeyXUWVCQJZCQBPOL-UHFFFAOYSA-N
XLogP4.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 110148840
2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939
1-[4-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 124980097
(6-fluoro-1H-indol-2-yl)-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 110103570
(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
N-[2-oxo-2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 124948555
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994004
2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103555
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983002

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110148888) is 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCCC2CCc2ccncc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is XUWVCQJZCQBPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-20(31)29-17-12-26(13-18-29,19-22-4-7-23(27)8-5-22)25(32)30-16-2-3-24(30)9-6-21-10-14-28-15-11-21/h4-5,7-8,10-11,14-15,24H,2-3,6,9,12-13,16-19H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 437.56 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]-4-[2-(2-pyridin-4-ylethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110148888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).