[1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone

C20H21FN2O2 — CID 126785206

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(OCc2ccncc2)C1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-17-3-1-16(2-4-17)20(8-9-20)19(24)23-12-7-18(13-23)25-14-15-5-10-22-11-6-15/h1-6,10-11,18H,7-9,12-14H2
InChIKeyILFIITCMTIPFOR-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.07
Rot. Bonds5

About [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone (PubChem CID 126785206) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
PubChem CID126785206
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(OCc2ccncc2)C1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O2/c21-17-3-1-16(2-4-17)20(8-9-20)19(24)23-12-7-18(13-23)25-14-15-5-10-22-11-6-15/h1-6,10-11,18H,7-9,12-14H2
InChIKeyILFIITCMTIPFOR-UHFFFAOYSA-N
XLogP3.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone (CID 126785206) is [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone is O=C(N1CCC(OCc2ccncc2)C1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone?
The InChIKey is ILFIITCMTIPFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-3-1-16(2-4-17)20(8-9-20)19(24)23-12-7-18(13-23)25-14-15-5-10-22-11-6-15/h1-6,10-11,18H,7-9,12-14H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone has a molecular weight of 340.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126785206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).