[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone

C23H32FN3O3 — CID 139007230

IUPAC[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C23H32FN3O3/c24-20-7-3-5-18(15-20)16-23(30)8-13-25(14-9-23)21(28)19-6-4-12-27(17-19)22(29)26-10-1-2-11-26/h3,5,7,15,19,30H,1-2,4,6,8-14,16-17H2
InChIKeyWROKPLYLVARFNK-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.65
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone

[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone (PubChem CID 139007230) has the molecular formula C23H32FN3O3 and a molecular weight of 417.53 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
PubChem CID139007230
Molecular FormulaC23H32FN3O3
Molecular Weight417.53 g/mol
Exact Mass417.24
IUPAC Name[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C23H32FN3O3/c24-20-7-3-5-18(15-20)16-23(30)8-13-25(14-9-23)21(28)19-6-4-12-27(17-19)22(29)26-10-1-2-11-26/h3,5,7,15,19,30H,1-2,4,6,8-14,16-17H2
InChIKeyWROKPLYLVARFNK-UHFFFAOYSA-N
XLogP2.65
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 97196453
4-[[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023830
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
(4-ethylmorpholin-3-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007228
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120735636
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 139007233
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
1-(cyclopentanecarbonyl)-3-[[3-(3-fluorophenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110232836

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone (CID 139007230) is [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone is O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCC(O)(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone?
The InChIKey is WROKPLYLVARFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O3/c24-20-7-3-5-18(15-20)16-23(30)8-13-25(14-9-23)21(28)19-6-4-12-27(17-19)22(29)26-10-1-2-11-26/h3,5,7,15,19,30H,1-2,4,6,8-14,16-17H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone?
[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone has a molecular weight of 417.53 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 139007230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).