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

C20H21FN2O2 — CID 126772252

IUPAC[1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(OCc2ccncc2)C1)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C20H21FN2O2/c21-17-3-1-2-16(12-17)20(7-8-20)19(24)23-11-6-18(13-23)25-14-15-4-9-22-10-5-15/h1-5,9-10,12,18H,6-8,11,13-14H2
InChIKeyQGIMIZJQQFULDY-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.07
Rot. Bonds5

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

[1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone (PubChem CID 126772252) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
PubChem CID126772252
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name[1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(OCc2ccncc2)C1)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C20H21FN2O2/c21-17-3-1-2-16(12-17)20(7-8-20)19(24)23-11-6-18(13-23)25-14-15-4-9-22-10-5-15/h1-5,9-10,12,18H,6-8,11,13-14H2
InChIKeyQGIMIZJQQFULDY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone (CID 126772252) is [1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone is O=C(N1CCC(OCc2ccncc2)C1)C1(c2cccc(F)c2)CC1.
What is the InChIKey of [1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone?
The InChIKey is QGIMIZJQQFULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-17-3-1-2-16(12-17)20(7-8-20)19(24)23-11-6-18(13-23)25-14-15-4-9-22-10-5-15/h1-5,9-10,12,18H,6-8,11,13-14H2.
What are the key properties of [1-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone?
[1-(3-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-(3-fluorophenyl)cyclopropyl]-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126772252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).