cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone

C26H29FN2O3 — CID 42116086

IUPACcyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C26H29FN2O3/c27-22-7-3-18(4-8-22)21-11-14-29(17-21)26(31)20-5-9-23(10-6-20)32-24-12-15-28(16-13-24)25(30)19-1-2-19/h3-10,19,21,24H,1-2,11-17H2/t21-/m0/s1
InChIKeyHIGIZTKGPPHERE-NRFANRHFSA-N
MW436.53 g/mol
LogP4.24
Rot. Bonds5

About cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone

cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone (PubChem CID 42116086) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
PubChem CID42116086
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Namecyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C26H29FN2O3/c27-22-7-3-18(4-8-22)21-11-14-29(17-21)26(31)20-5-9-23(10-6-20)32-24-12-15-28(16-13-24)25(30)19-1-2-19/h3-10,19,21,24H,1-2,11-17H2/t21-/m0/s1
InChIKeyHIGIZTKGPPHERE-NRFANRHFSA-N
XLogP4.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperazin-2-one
CID 72845459
[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020
(4-bromophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 72717452

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone (CID 42116086) is cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone is O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CC[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
The InChIKey is HIGIZTKGPPHERE-NRFANRHFSA-N. The full InChI is InChI=1S/C26H29FN2O3/c27-22-7-3-18(4-8-22)21-11-14-29(17-21)26(31)20-5-9-23(10-6-20)32-24-12-15-28(16-13-24)25(30)19-1-2-19/h3-10,19,21,24H,1-2,11-17H2/t21-/m0/s1.
What are the key properties of cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone has a molecular weight of 436.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 42116086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).