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

C20H25FN2O2 — CID 72923993

IUPACcyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(=O)N2CCC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H25FN2O2/c21-18-5-3-14(4-6-18)17-9-12-23(13-17)20(25)16-7-10-22(11-8-16)19(24)15-1-2-15/h3-6,15-17H,1-2,7-13H2
InChIKeyYMAQSLBEVQJKFN-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.79
Rot. Bonds3

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

cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 72923993) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID72923993
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Namecyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(C(=O)N2CCC(c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H25FN2O2/c21-18-5-3-14(4-6-18)17-9-12-23(13-17)20(25)16-7-10-22(11-8-16)19(24)15-1-2-15/h3-6,15-17H,1-2,7-13H2
InChIKeyYMAQSLBEVQJKFN-UHFFFAOYSA-N
XLogP2.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (CID 72923993) is cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(C(=O)N2CCC(c3ccc(F)cc3)C2)CC1.
What is the InChIKey of cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is YMAQSLBEVQJKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-18-5-3-14(4-6-18)17-9-12-23(13-17)20(25)16-7-10-22(11-8-16)19(24)15-1-2-15/h3-6,15-17H,1-2,7-13H2.
What are the key properties of cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 344.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(4-fluorophenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 72923993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).